3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

C43H85N9 — CID 162040228

IUPAC3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1C2CCC1CNC2.CC(C)N1CC2CC(C1)N2.CC(C)N1CC2CC(C2)C1.CC(C)N1CC2CC1CN2.CC(C)N1CC2CCC(C1)N2
InChIInChI=1S/2C9H18N2.C9H17N.2C8H16N2/c1-7(2)11-5-8-3-4-9(6-11)10-8;1-7(2)11-8-3-4-9(11)6-10-5-8;1-7(2)10-5-8-3-9(4-8)6-10;1-6(2)10-5-7-3-8(10)4-9-7;1-6(2)10-4-7-3-8(5-10)9-7/h2*7-10H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;2*6-9H,3-5H2,1-2H3
InChIKeyYXEGQJXIPJWKBD-UHFFFAOYSA-N
MW728.22 g/mol
LogP4.28
Rot. Bonds5

About 3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 162040228) has the molecular formula C43H85N9 and a molecular weight of 728.22 g/mol. Its IUPAC name is 3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
PubChem CID162040228
Molecular FormulaC43H85N9
Molecular Weight728.22 g/mol
Exact Mass727.69
IUPAC Name3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1C2CCC1CNC2.CC(C)N1CC2CC(C1)N2.CC(C)N1CC2CC(C2)C1.CC(C)N1CC2CC1CN2.CC(C)N1CC2CCC(C1)N2
InChIInChI=1S/2C9H18N2.C9H17N.2C8H16N2/c1-7(2)11-5-8-3-4-9(6-11)10-8;1-7(2)11-8-3-4-9(11)6-10-5-8;1-7(2)10-5-8-3-9(4-8)6-10;1-6(2)10-5-7-3-8(10)4-9-7;1-6(2)10-4-7-3-8(5-10)9-7/h2*7-10H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;2*6-9H,3-5H2,1-2H3
InChIKeyYXEGQJXIPJWKBD-UHFFFAOYSA-N
XLogP4.28
TPSA64.32 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500728.22
LogP ≤ 54.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane with MolForge

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Related Compounds

ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 170980461
3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride
CID 146675589
2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)ethanone
CID 165053063
methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane
CID 157141591
2-(1-methoxypropan-2-yl)-2,5-diazabicyclo[2.2.2]octane
CID 127000094
2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 144525170
3,8-diazabicyclo[3.2.1]octan-3-amine;ethane;ethene;8-methyl-3,8-diazabicyclo[3.2.1]octane
CID 145318052
(3aS,6aR)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
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(1S,5S)-9-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonane
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tert-butyl 3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;trihydrochloride
CID 165084939
3-methyl-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;9-methyl-3-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;bis(3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane);8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[3.2.2]nonane
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3-(azetidin-3-yl)-3-azabicyclo[3.2.1]octane
CID 138958511

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (CID 162040228) is 3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is CC(C)N1C2CCC1CNC2.CC(C)N1CC2CC(C1)N2.CC(C)N1CC2CC(C2)C1.CC(C)N1CC2CC1CN2.CC(C)N1CC2CCC(C1)N2.
What is the InChIKey of 3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is YXEGQJXIPJWKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18N2.C9H17N.2C8H16N2/c1-7(2)11-5-8-3-4-9(6-11)10-8;1-7(2)11-8-3-4-9(11)6-10-5-8;1-7(2)10-5-8-3-9(4-8)6-10;1-6(2)10-5-7-3-8(10)4-9-7;1-6(2)10-4-7-3-8(5-10)9-7/h2*7-10H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;2*6-9H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 728.22 g/mol, XLogP of 4.28, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 162040228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).