9-(3-ethylpentan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

C18H36N2 — CID 63841442

IUPAC9-(3-ethylpentan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2C(C)C(CC)CC
InChIInChI=1S/C18H36N2/c1-5-11-19-16-12-17-9-8-10-18(13-16)20(17)14(4)15(6-2)7-3/h14-19H,5-13H2,1-4H3
InChIKeyKVPYVFMMNNGFQL-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.20
Rot. Bonds7

About 9-(3-ethylpentan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

9-(3-ethylpentan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 63841442) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 9-(3-ethylpentan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(3-ethylpentan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID63841442
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name9-(3-ethylpentan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2C(C)C(CC)CC
InChIInChI=1S/C18H36N2/c1-5-11-19-16-12-17-9-8-10-18(13-16)20(17)14(4)15(6-2)7-3/h14-19H,5-13H2,1-4H3
InChIKeyKVPYVFMMNNGFQL-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-(3-ethylpentan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(3-methylbutan-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738581
8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738418
2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide
CID 62713460
9-[1-(diethylamino)propan-2-yl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714544
9-(1-methylsulfonylpropan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 64642499
9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711986
N-propan-2-yl-2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
CID 62712210
9-(2-methylsulfanylpropyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 113466928
N-ethyl-9-pentan-3-yl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105982
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
N-hexyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470840

Frequently Asked Questions

What is the IUPAC name of 9-(3-ethylpentan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(3-ethylpentan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 63841442) is 9-(3-ethylpentan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(3-ethylpentan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(3-ethylpentan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is CCCNC1CC2CCCC(C1)N2C(C)C(CC)CC.
What is the InChIKey of 9-(3-ethylpentan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is KVPYVFMMNNGFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-11-19-16-12-17-9-8-10-18(13-16)20(17)14(4)15(6-2)7-3/h14-19H,5-13H2,1-4H3.
What are the key properties of 9-(3-ethylpentan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-(3-ethylpentan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 280.50 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-ethylpentan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 63841442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).