9-[(1-methylcyclopentyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

C18H34N2 — CID 63831060

IUPAC9-[(1-methylcyclopentyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2CC1(C)CCCC1
InChIInChI=1S/C18H34N2/c1-3-11-19-15-12-16-7-6-8-17(13-15)20(16)14-18(2)9-4-5-10-18/h15-17,19H,3-14H2,1-2H3
InChIKeyZPLDAWJTDMENKS-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.95
Rot. Bonds5

About 9-[(1-methylcyclopentyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

9-[(1-methylcyclopentyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 63831060) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 9-[(1-methylcyclopentyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-[(1-methylcyclopentyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID63831060
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name9-[(1-methylcyclopentyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2CC1(C)CCCC1
InChIInChI=1S/C18H34N2/c1-3-11-19-15-12-16-7-6-8-17(13-15)20(16)14-18(2)9-4-5-10-18/h15-17,19H,3-14H2,1-2H3
InChIKeyZPLDAWJTDMENKS-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-[[1-(dimethylamino)cyclopentyl]methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 83114315
9-[(3-methoxyoxolan-3-yl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 104766000
9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711986
9-(2-methylsulfanylpropyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 113466928
9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 113466133
8-butyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741055
9-(3-methylpentan-3-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 106329570
N-propan-2-yl-2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
CID 62712210
8-(2,6-dimethylpiperidin-1-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 83024323
9-[(4-bromophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712363
9-[2-(oxolan-2-yl)ethyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713145
9-[[1-(dimethylamino)cyclobutyl]methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 105420533

Frequently Asked Questions

What is the IUPAC name of 9-[(1-methylcyclopentyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-[(1-methylcyclopentyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 63831060) is 9-[(1-methylcyclopentyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-[(1-methylcyclopentyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-[(1-methylcyclopentyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is CCCNC1CC2CCCC(C1)N2CC1(C)CCCC1.
What is the InChIKey of 9-[(1-methylcyclopentyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is ZPLDAWJTDMENKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-3-11-19-15-12-16-7-6-8-17(13-15)20(16)14-18(2)9-4-5-10-18/h15-17,19H,3-14H2,1-2H3.
What are the key properties of 9-[(1-methylcyclopentyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-[(1-methylcyclopentyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 278.48 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1-methylcyclopentyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 63831060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).