(1R,5R)-1,5-dimethyl-3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonane

C12H24N2 — CID 98114726

IUPAC(1R,5R)-1,5-dimethyl-3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonane
SMILESCC(C)N1C[C@@]2(C)CNC[C@](C)(C1)C2
InChIInChI=1S/C12H24N2/c1-10(2)14-8-11(3)5-12(4,9-14)7-13-6-11/h10,13H,5-9H2,1-4H3/t11-,12-/m1/s1
InChIKeyUCGIBNODMYFZKN-VXGBXAGGSA-N
MW196.34 g/mol
LogP1.72
Rot. Bonds1

About (1R,5R)-1,5-dimethyl-3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonane

(1R,5R)-1,5-dimethyl-3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 98114726) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (1R,5R)-1,5-dimethyl-3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1R,5R)-1,5-dimethyl-3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonane
PubChem CID98114726
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(1R,5R)-1,5-dimethyl-3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonane
SMILESCC(C)N1C[C@@]2(C)CNC[C@](C)(C1)C2
InChIInChI=1S/C12H24N2/c1-10(2)14-8-11(3)5-12(4,9-14)7-13-6-11/h10,13H,5-9H2,1-4H3/t11-,12-/m1/s1
InChIKeyUCGIBNODMYFZKN-VXGBXAGGSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5R)-1,5-dimethyl-3-(2-methylpropyl)-3,7-diazabicyclo[3.3.1]nonane
CID 98114731
ethane;2-propan-2-yl-2,6-diazaspiro[3.3]heptane
CID 160577480
(1S,5S)-3-benzhydryl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonane
CID 6355536
(1R,5R)-1,5-dimethyl-3-(3-methylbutyl)-3,7-diazabicyclo[3.3.1]nonane
CID 98114729
8,8-difluoro-6-propan-2-yl-2,6-diazaspiro[3.4]octane
CID 157032814
1,5-dimethyl-3-prop-1-en-2-yl-3,7-diazabicyclo[3.3.1]nonane
CID 90766101
12-propan-2-yl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane
CID 135332795
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane
CID 20781150
1-propan-2-ylpiperazine;vanadium
CID 162375922
3-methyl-1-propan-2-ylazetidin-3-ol
CID 58334516
(3aR,6aS)-2-ethyl-3a,6a-dimethyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 170578237
6-fluoro-6-methyl-2-propan-2-yl-2-azaspiro[3.3]heptane
CID 156813146

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-1,5-dimethyl-3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of (1R,5R)-1,5-dimethyl-3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonane (CID 98114726) is (1R,5R)-1,5-dimethyl-3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for (1R,5R)-1,5-dimethyl-3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for (1R,5R)-1,5-dimethyl-3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonane is CC(C)N1C[C@@]2(C)CNC[C@](C)(C1)C2.
What is the InChIKey of (1R,5R)-1,5-dimethyl-3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is UCGIBNODMYFZKN-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H24N2/c1-10(2)14-8-11(3)5-12(4,9-14)7-13-6-11/h10,13H,5-9H2,1-4H3/t11-,12-/m1/s1.
What are the key properties of (1R,5R)-1,5-dimethyl-3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonane?
(1R,5R)-1,5-dimethyl-3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 196.34 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-1,5-dimethyl-3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 98114726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).