4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1,4-diamine

C15H29N3 — CID 79741156

IUPAC4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1,4-diamine
SMILESCN1C2CCCC1CC(NC1CCC(N)CC1)C2
InChIInChI=1S/C15H29N3/c1-18-14-3-2-4-15(18)10-13(9-14)17-12-7-5-11(16)6-8-12/h11-15,17H,2-10,16H2,1H3
InChIKeySLSFKLYFZOOWCF-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.86
Rot. Bonds2

About 4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1,4-diamine

4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1,4-diamine (PubChem CID 79741156) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1,4-diamine
PubChem CID79741156
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1,4-diamine
SMILESCN1C2CCCC1CC(NC1CCC(N)CC1)C2
InChIInChI=1S/C15H29N3/c1-18-14-3-2-4-15(18)10-13(9-14)17-12-7-5-11(16)6-8-12/h11-15,17H,2-10,16H2,1H3
InChIKeySLSFKLYFZOOWCF-UHFFFAOYSA-N
XLogP1.86
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471027
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-(oxetan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471249
(1R,5S)-N-cyclohexyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 667781
9-methyl-N-(1-propan-2-ylazepan-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470461
4-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide
CID 65472567
9-methyl-N-[3-(2-methylpropyl)cyclohexyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 107428543
8-methyl-N-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43373311
N-(3-ethoxycyclobutyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 112554632
(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
CID 176941052
4-N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]cyclohexane-1,4-diamine
CID 158561416

Frequently Asked Questions

What is the IUPAC name of 4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1,4-diamine (CID 79741156) is 4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1,4-diamine is CN1C2CCCC1CC(NC1CCC(N)CC1)C2.
What is the InChIKey of 4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1,4-diamine?
The InChIKey is SLSFKLYFZOOWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-18-14-3-2-4-15(18)10-13(9-14)17-12-7-5-11(16)6-8-12/h11-15,17H,2-10,16H2,1H3.
What are the key properties of 4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1,4-diamine?
4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1,4-diamine has a molecular weight of 251.42 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79741156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).