3,7-dimethylbicyclo[3.3.1]nonane-1,3-diamine

C11H22N2 — CID 170605950

IUPAC3,7-dimethylbicyclo[3.3.1]nonane-1,3-diamine
SMILESCC1CC2CC(C)(N)CC(N)(C1)C2
InChIInChI=1S/C11H22N2/c1-8-3-9-5-10(2,12)7-11(13,4-8)6-9/h8-9H,3-7,12-13H2,1-2H3
InChIKeyWDXUCEPTXUSLJW-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.63
Rot. Bonds

About 3,7-dimethylbicyclo[3.3.1]nonane-1,3-diamine

3,7-dimethylbicyclo[3.3.1]nonane-1,3-diamine (PubChem CID 170605950) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3,7-dimethylbicyclo[3.3.1]nonane-1,3-diamine.

Molecular Properties

Compound Name3,7-dimethylbicyclo[3.3.1]nonane-1,3-diamine
PubChem CID170605950
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3,7-dimethylbicyclo[3.3.1]nonane-1,3-diamine
SMILESCC1CC2CC(C)(N)CC(N)(C1)C2
InChIInChI=1S/C11H22N2/c1-8-3-9-5-10(2,12)7-11(13,4-8)6-9/h8-9H,3-7,12-13H2,1-2H3
InChIKeyWDXUCEPTXUSLJW-UHFFFAOYSA-N
XLogP1.63
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine
CID 146861347
1-(1,3-dihydroisoindol-2-yl)ethanone;3,7-dimethylbicyclo[3.3.1]nonane-1,3-diamine;1-methyl-4-phenylbenzene
CID 170605949
1,3,5-trimethylcyclohexan-1-amine;hydrochloride
CID 18783158
3,4-dimethyladamantan-1-amine
CID 67779932
(5S,7S)-3-[(5S,7S)-3-amino-1-adamantyl]adamantan-1-amine
CID 56845538
(1-amino-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl) [4-(methoxyamino)phenyl] carbonate
CID 174306600
7-amino-3,7-dimethylbicyclo[3.3.1]nonan-3-ol
CID 123493909
(5S,7R)-3-chloroadamantan-1-amine
CID 24721241
(5S,7R)-3-bromoadamantan-1-amine
CID 97466147
1-tert-butyl-3,7-dimethylbicyclo[3.3.1]nonan-3-ol
CID 91108760
3-aminoadamantane-1-carboxamide
CID 67083536
3-methylbicyclo[3.1.1]heptan-1-ol
CID 67034776

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethylbicyclo[3.3.1]nonane-1,3-diamine?
The IUPAC name of 3,7-dimethylbicyclo[3.3.1]nonane-1,3-diamine (CID 170605950) is 3,7-dimethylbicyclo[3.3.1]nonane-1,3-diamine.
What is the SMILES notation for 3,7-dimethylbicyclo[3.3.1]nonane-1,3-diamine?
The canonical SMILES for 3,7-dimethylbicyclo[3.3.1]nonane-1,3-diamine is CC1CC2CC(C)(N)CC(N)(C1)C2.
What is the InChIKey of 3,7-dimethylbicyclo[3.3.1]nonane-1,3-diamine?
The InChIKey is WDXUCEPTXUSLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-8-3-9-5-10(2,12)7-11(13,4-8)6-9/h8-9H,3-7,12-13H2,1-2H3.
What are the key properties of 3,7-dimethylbicyclo[3.3.1]nonane-1,3-diamine?
3,7-dimethylbicyclo[3.3.1]nonane-1,3-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethylbicyclo[3.3.1]nonane-1,3-diamine is sourced from PubChem (CID 170605950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).