methane;1-methyl-6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;5-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane

C63H130N12 — CID 159247417

IUPACmethane;1-methyl-6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;5-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
SMILESC.C.CC(C)N1CC2CCCN(C)C2C1.CC(C)N1CC2CCN(C)C2C1.CC(C)N1CC2CN(C)C2C1.CC(C)N1CC2CN(C)CC2C1.CC(C)N1CCC2(CCN(C)C2)C1.CC(C)N1CCC2CN(C)CC21
InChIInChI=1S/2C11H22N2.3C10H20N2.C9H18N2.2CH4/c1-10(2)13-7-5-11(9-13)4-6-12(3)8-11;1-9(2)13-7-10-5-4-6-12(3)11(10)8-13;1-8(2)12-6-9-4-11(3)5-10(9)7-12;1-8(2)12-5-4-9-6-11(3)7-10(9)12;1-8(2)12-6-9-4-5-11(3)10(9)7-12;1-7(2)11-5-8-4-10(3)9(8)6-11;;/h10H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3;3*8-10H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;2*1H4
InChIKeyKUVXQEAPVCEDBQ-UHFFFAOYSA-N
MW1055.82 g/mol
LogP7.71
Rot. Bonds6

About methane;1-methyl-6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;5-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane

methane;1-methyl-6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;5-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane (PubChem CID 159247417) has the molecular formula C63H130N12 and a molecular weight of 1055.82 g/mol. Its IUPAC name is methane;1-methyl-6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;5-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Namemethane;1-methyl-6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;5-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
PubChem CID159247417
Molecular FormulaC63H130N12
Molecular Weight1055.82 g/mol
Exact Mass1055.05
IUPAC Namemethane;1-methyl-6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;5-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
SMILESC.C.CC(C)N1CC2CCCN(C)C2C1.CC(C)N1CC2CCN(C)C2C1.CC(C)N1CC2CN(C)C2C1.CC(C)N1CC2CN(C)CC2C1.CC(C)N1CCC2(CCN(C)C2)C1.CC(C)N1CCC2CN(C)CC21
InChIInChI=1S/2C11H22N2.3C10H20N2.C9H18N2.2CH4/c1-10(2)13-7-5-11(9-13)4-6-12(3)8-11;1-9(2)13-7-10-5-4-6-12(3)11(10)8-13;1-8(2)12-6-9-4-11(3)5-10(9)7-12;1-8(2)12-5-4-9-6-11(3)7-10(9)12;1-8(2)12-6-9-4-5-11(3)10(9)7-12;1-7(2)11-5-8-4-10(3)9(8)6-11;;/h10H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3;3*8-10H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;2*1H4
InChIKeyKUVXQEAPVCEDBQ-UHFFFAOYSA-N
XLogP7.71
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001055.82
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze methane;1-methyl-6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;5-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane with MolForge

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Related Compounds

1-methyl-6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;5-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 157159160
methane;1-methyl-6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;5-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 157625209
methane;1-methyl-6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;5-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 158140799
1,4-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine;1,4-dimethyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;1,5-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2,5-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane
CID 159424300
1-methyl-6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;5-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 159568150
methane;1-methyl-6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;bis(5-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole);6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 160202422
methane;1-methyl-6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;5-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 162007594

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;5-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane?
The IUPAC name of methane;1-methyl-6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;5-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane (CID 159247417) is methane;1-methyl-6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;5-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for methane;1-methyl-6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;5-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for methane;1-methyl-6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;5-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane is C.C.CC(C)N1CC2CCCN(C)C2C1.CC(C)N1CC2CCN(C)C2C1.CC(C)N1CC2CN(C)C2C1.CC(C)N1CC2CN(C)CC2C1.CC(C)N1CCC2(CCN(C)C2)C1.CC(C)N1CCC2CN(C)CC21.
What is the InChIKey of methane;1-methyl-6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;5-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane?
The InChIKey is KUVXQEAPVCEDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H22N2.3C10H20N2.C9H18N2.2CH4/c1-10(2)13-7-5-11(9-13)4-6-12(3)8-11;1-9(2)13-7-10-5-4-6-12(3)11(10)8-13;1-8(2)12-6-9-4-11(3)5-10(9)7-12;1-8(2)12-5-4-9-6-11(3)7-10(9)12;1-8(2)12-6-9-4-5-11(3)10(9)7-12;1-7(2)11-5-8-4-10(3)9(8)6-11;;/h10H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3;3*8-10H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;2*1H4.
What are the key properties of methane;1-methyl-6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;5-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane?
methane;1-methyl-6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;5-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane has a molecular weight of 1055.82 g/mol, XLogP of 7.71, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;5-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 159247417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).