N-methyl-N-(4-methylpentyl)-8-azabicyclo[3.2.1]octan-3-amine

C14H28N2 — CID 83158606

IUPACN-methyl-N-(4-methylpentyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)CCCN(C)C1CC2CCC(C1)N2
InChIInChI=1S/C14H28N2/c1-11(2)5-4-8-16(3)14-9-12-6-7-13(10-14)15-12/h11-15H,4-10H2,1-3H3
InChIKeyVKFNKDILJPFENO-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.64
Rot. Bonds5

About N-methyl-N-(4-methylpentyl)-8-azabicyclo[3.2.1]octan-3-amine

N-methyl-N-(4-methylpentyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 83158606) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-methyl-N-(4-methylpentyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-N-(4-methylpentyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID83158606
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-methyl-N-(4-methylpentyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)CCCN(C)C1CC2CCC(C1)N2
InChIInChI=1S/C14H28N2/c1-11(2)5-4-8-16(3)14-9-12-6-7-13(10-14)15-12/h11-15H,4-10H2,1-3H3
InChIKeyVKFNKDILJPFENO-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-N-(4-methylpentyl)-8-azabicyclo[3.2.1]octan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylpentyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-N-(4-methylpentyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 83158606) is N-methyl-N-(4-methylpentyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-N-(4-methylpentyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-N-(4-methylpentyl)-8-azabicyclo[3.2.1]octan-3-amine is CC(C)CCCN(C)C1CC2CCC(C1)N2.
What is the InChIKey of N-methyl-N-(4-methylpentyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is VKFNKDILJPFENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11(2)5-4-8-16(3)14-9-12-6-7-13(10-14)15-12/h11-15H,4-10H2,1-3H3.
What are the key properties of N-methyl-N-(4-methylpentyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-N-(4-methylpentyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 224.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylpentyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 83158606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).