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

C16H30N2 — CID 64731674

IUPACN-(3,5-dimethylcyclohexyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC1CC(C)CC(NC2CC3CCC(C2)N3C)C1
InChIInChI=1S/C16H30N2/c1-11-6-12(2)8-13(7-11)17-14-9-15-4-5-16(10-14)18(15)3/h11-17H,4-10H2,1-3H3
InChIKeyJGPPXRLKEHKQHM-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.03
Rot. Bonds2

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

N-(3,5-dimethylcyclohexyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 64731674) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID64731674
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-(3,5-dimethylcyclohexyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC1CC(C)CC(NC2CC3CCC(C2)N3C)C1
InChIInChI=1S/C16H30N2/c1-11-6-12(2)8-13(7-11)17-14-9-15-4-5-16(10-14)18(15)3/h11-17H,4-10H2,1-3H3
InChIKeyJGPPXRLKEHKQHM-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 64731674) is N-(3,5-dimethylcyclohexyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is CC1CC(C)CC(NC2CC3CCC(C2)N3C)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is JGPPXRLKEHKQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-11-6-12(2)8-13(7-11)17-14-9-15-4-5-16(10-14)18(15)3/h11-17H,4-10H2,1-3H3.
What are the key properties of N-(3,5-dimethylcyclohexyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(3,5-dimethylcyclohexyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 250.43 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 64731674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).