9-methyl-N-[3-(2-methylpropyl)cyclohexyl]-9-azabicyclo[3.3.1]nonan-3-amine

C19H36N2 — CID 107428543

IUPAC9-methyl-N-[3-(2-methylpropyl)cyclohexyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC(C)CC1CCCC(NC2CC3CCCC(C2)N3C)C1
InChIInChI=1S/C19H36N2/c1-14(2)10-15-6-4-7-16(11-15)20-17-12-18-8-5-9-19(13-17)21(18)3/h14-20H,4-13H2,1-3H3
InChIKeyZIILHADJGZHGJC-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.20
Rot. Bonds4

About 9-methyl-N-[3-(2-methylpropyl)cyclohexyl]-9-azabicyclo[3.3.1]nonan-3-amine

9-methyl-N-[3-(2-methylpropyl)cyclohexyl]-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 107428543) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 9-methyl-N-[3-(2-methylpropyl)cyclohexyl]-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-methyl-N-[3-(2-methylpropyl)cyclohexyl]-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID107428543
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name9-methyl-N-[3-(2-methylpropyl)cyclohexyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC(C)CC1CCCC(NC2CC3CCCC(C2)N3C)C1
InChIInChI=1S/C19H36N2/c1-14(2)10-15-6-4-7-16(11-15)20-17-12-18-8-5-9-19(13-17)21(18)3/h14-20H,4-13H2,1-3H3
InChIKeyZIILHADJGZHGJC-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopent-3-en-1-yl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428777
N-cyclopentyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471027
N-(4-ethylcycloheptyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470279
4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1,4-diamine
CID 79741156
9-methyl-N-(oxetan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471249
N-[3-(2-methylpropyl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine
CID 107849963
N-(3-ethoxycyclobutyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 112554632
(1R,5S)-N-cyclohexyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 667781
2-methyl-N-[3-(2-methylpropyl)cyclohexyl]oxolan-3-amine
CID 107428699
N-butan-2-yl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107427829
N-(1-cyclopropylpropan-2-yl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428492
9-methyl-N-(1-propan-2-ylazepan-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470461

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[3-(2-methylpropyl)cyclohexyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-methyl-N-[3-(2-methylpropyl)cyclohexyl]-9-azabicyclo[3.3.1]nonan-3-amine (CID 107428543) is 9-methyl-N-[3-(2-methylpropyl)cyclohexyl]-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-methyl-N-[3-(2-methylpropyl)cyclohexyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-methyl-N-[3-(2-methylpropyl)cyclohexyl]-9-azabicyclo[3.3.1]nonan-3-amine is CC(C)CC1CCCC(NC2CC3CCCC(C2)N3C)C1.
What is the InChIKey of 9-methyl-N-[3-(2-methylpropyl)cyclohexyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is ZIILHADJGZHGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-14(2)10-15-6-4-7-16(11-15)20-17-12-18-8-5-9-19(13-17)21(18)3/h14-20H,4-13H2,1-3H3.
What are the key properties of 9-methyl-N-[3-(2-methylpropyl)cyclohexyl]-9-azabicyclo[3.3.1]nonan-3-amine?
9-methyl-N-[3-(2-methylpropyl)cyclohexyl]-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 292.51 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-[3-(2-methylpropyl)cyclohexyl]-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 107428543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).