9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

C16H30N2 — CID 62711986

IUPAC9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2C1CCCC1
InChIInChI=1S/C16H30N2/c1-2-10-17-13-11-15-8-5-9-16(12-13)18(15)14-6-3-4-7-14/h13-17H,2-12H2,1H3
InChIKeyMMQYGNQSORBFDZ-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.31
Rot. Bonds4

About 9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62711986) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62711986
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2C1CCCC1
InChIInChI=1S/C16H30N2/c1-2-10-17-13-11-15-8-5-9-16(12-13)18(15)14-6-3-4-7-14/h13-17H,2-12H2,1H3
InChIKeyMMQYGNQSORBFDZ-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-cycloheptyl-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106081
8-cycloheptyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738438
8-(2-methylcyclopentyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 63281615
N-propyl-8-(1-propylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740549
8-(1-ethylpiperidin-3-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738636
9-(3-methylpentan-3-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 106329570
8-(2,6-dimethylpiperidin-1-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 83024323
9-(3-ethylpentan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 63841442
N-propyl-9-(2,4,4-trimethylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712605
9-[(1-methylcyclopentyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 63831060
9-(1,1-dioxothian-4-yl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712030
9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 113466133

Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 62711986) is 9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is CCCNC1CC2CCCC(C1)N2C1CCCC1.
What is the InChIKey of 9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is MMQYGNQSORBFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-10-17-13-11-15-8-5-9-16(12-13)18(15)14-6-3-4-7-14/h13-17H,2-12H2,1H3.
What are the key properties of 9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 250.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62711986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).