9-(2,2-dimethylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine

C13H26N2 — CID 62712593

IUPAC9-(2,2-dimethylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC(C)(C)CN1C2CCCC1CC(N)C2
InChIInChI=1S/C13H26N2/c1-13(2,3)9-15-11-5-4-6-12(15)8-10(14)7-11/h10-12H,4-9,14H2,1-3H3
InChIKeyHYIDTMBZWRKHJQ-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.38
Rot. Bonds1

About 9-(2,2-dimethylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine

9-(2,2-dimethylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62712593) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 9-(2,2-dimethylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(2,2-dimethylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62712593
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name9-(2,2-dimethylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC(C)(C)CN1C2CCCC1CC(N)C2
InChIInChI=1S/C13H26N2/c1-13(2,3)9-15-11-5-4-6-12(15)8-10(14)7-11/h10-12H,4-9,14H2,1-3H3
InChIKeyHYIDTMBZWRKHJQ-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(2-methyl-2-methylsulfonylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 79550721
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylbutan-2-ol
CID 114496396
9-[3-(dimethylamino)propyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712901
(1R,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 98110557
9-[2-(cyclopropylmethoxy)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 103815957
9-[(2-methoxy-4-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 62992716
9-(2-pyridin-4-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712936
(1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 138376241
9-(5,5,5-trifluoropentyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 113328116
9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 53408523
9-(4-propylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105943
8-cyclobutyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740544

Frequently Asked Questions

What is the IUPAC name of 9-(2,2-dimethylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(2,2-dimethylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 62712593) is 9-(2,2-dimethylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(2,2-dimethylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(2,2-dimethylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine is CC(C)(C)CN1C2CCCC1CC(N)C2.
What is the InChIKey of 9-(2,2-dimethylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is HYIDTMBZWRKHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-13(2,3)9-15-11-5-4-6-12(15)8-10(14)7-11/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 9-(2,2-dimethylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-(2,2-dimethylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 210.36 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,2-dimethylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62712593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).