9-methyl-N-(1-propan-2-ylazepan-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine

C18H35N3 — CID 65470461

IUPAC9-methyl-N-(1-propan-2-ylazepan-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC(C)N1CCCC(NC2CC3CCCC(C2)N3C)CC1
InChIInChI=1S/C18H35N3/c1-14(2)21-10-5-6-15(9-11-21)19-16-12-17-7-4-8-18(13-16)20(17)3/h14-19H,4-13H2,1-3H3
InChIKeyKIYVTSDDVQTXHM-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.85
Rot. Bonds3

About 9-methyl-N-(1-propan-2-ylazepan-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine

9-methyl-N-(1-propan-2-ylazepan-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 65470461) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 9-methyl-N-(1-propan-2-ylazepan-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-methyl-N-(1-propan-2-ylazepan-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID65470461
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name9-methyl-N-(1-propan-2-ylazepan-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC(C)N1CCCC(NC2CC3CCCC(C2)N3C)CC1
InChIInChI=1S/C18H35N3/c1-14(2)21-10-5-6-15(9-11-21)19-16-12-17-7-4-8-18(13-16)20(17)3/h14-19H,4-13H2,1-3H3
InChIKeyKIYVTSDDVQTXHM-UHFFFAOYSA-N
XLogP2.85
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-methyl-N-(1-propan-2-ylazepan-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine with MolForge

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Related Compounds

N-cyclopentyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471027
4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1,4-diamine
CID 79741156
N-(1-methylsulfonylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine
CID 65074446
(1R,5S)-N-cyclohexyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 667781
9-methyl-N-(oxetan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471249
8-methyl-N-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43373311
N-cyclopropyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131525
N-(4-ethylcycloheptyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470279
9-methyl-N-[3-(2-methylpropyl)cyclohexyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 107428543
N-(2,2-dimethylcyclopentyl)-1-propan-2-ylazepan-4-amine
CID 79861390
cis-(1R,3S)-N-ethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 66634425
1-propan-2-yl-N-(thietan-3-yl)piperidin-4-amine
CID 126987499

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-(1-propan-2-ylazepan-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-methyl-N-(1-propan-2-ylazepan-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 65470461) is 9-methyl-N-(1-propan-2-ylazepan-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-methyl-N-(1-propan-2-ylazepan-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-methyl-N-(1-propan-2-ylazepan-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine is CC(C)N1CCCC(NC2CC3CCCC(C2)N3C)CC1.
What is the InChIKey of 9-methyl-N-(1-propan-2-ylazepan-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is KIYVTSDDVQTXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-14(2)21-10-5-6-15(9-11-21)19-16-12-17-7-4-8-18(13-16)20(17)3/h14-19H,4-13H2,1-3H3.
What are the key properties of 9-methyl-N-(1-propan-2-ylazepan-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-methyl-N-(1-propan-2-ylazepan-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 293.50 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-(1-propan-2-ylazepan-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 65470461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).