N-(3,5-dimethylcyclohexyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C18H34N2 — CID 64752902

IUPACN-(3,5-dimethylcyclohexyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(C1CC(C)CC(C)C1)C1CC2CCC(C1)N2
InChIInChI=1S/C18H34N2/c1-4-7-20(17-9-13(2)8-14(3)10-17)18-11-15-5-6-16(12-18)19-15/h13-19H,4-12H2,1-3H3
InChIKeyKCBSBBRSTHBNMP-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.81
Rot. Bonds4

About N-(3,5-dimethylcyclohexyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

N-(3,5-dimethylcyclohexyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 64752902) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID64752902
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC NameN-(3,5-dimethylcyclohexyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(C1CC(C)CC(C)C1)C1CC2CCC(C1)N2
InChIInChI=1S/C18H34N2/c1-4-7-20(17-9-13(2)8-14(3)10-17)18-11-15-5-6-16(12-18)19-15/h13-19H,4-12H2,1-3H3
InChIKeyKCBSBBRSTHBNMP-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232838
N-(oxan-4-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232456
N-(3,5-dimethylcyclohexyl)-N-propylpyrrolidin-3-amine
CID 64751703
N-propyl-N-(thian-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62873306
N-(3-methylcyclobutyl)-N-propylpyrrolidin-3-amine
CID 104973725
(1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 26189078
N-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232461
N-methyl-N-(3-methylcyclopentyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 64516668
N-pentyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230427
N-propyl-N-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232894
N-but-2-ynyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62311570
N-(2-methylidenebutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 66046934

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 64752902) is N-(3,5-dimethylcyclohexyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCN(C1CC(C)CC(C)C1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is KCBSBBRSTHBNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-4-7-20(17-9-13(2)8-14(3)10-17)18-11-15-5-6-16(12-18)19-15/h13-19H,4-12H2,1-3H3.
What are the key properties of N-(3,5-dimethylcyclohexyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(3,5-dimethylcyclohexyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 278.48 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 64752902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).