N-methyl-9-(2-propan-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine

C18H28N2 — CID 62712367

IUPACN-methyl-9-(2-propan-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2c1ccccc1C(C)C
InChIInChI=1S/C18H28N2/c1-13(2)17-9-4-5-10-18(17)20-15-7-6-8-16(20)12-14(11-15)19-3/h4-5,9-10,13-16,19H,6-8,11-12H2,1-3H3
InChIKeyDHMJWNYLEHQQII-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.92
Rot. Bonds3

About N-methyl-9-(2-propan-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine

N-methyl-9-(2-propan-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62712367) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-methyl-9-(2-propan-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-methyl-9-(2-propan-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62712367
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-methyl-9-(2-propan-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2c1ccccc1C(C)C
InChIInChI=1S/C18H28N2/c1-13(2)17-9-4-5-10-18(17)20-15-7-6-8-16(20)12-14(11-15)19-3/h4-5,9-10,13-16,19H,6-8,11-12H2,1-3H3
InChIKeyDHMJWNYLEHQQII-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-9-(2-propan-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-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-9-(2-propan-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-methyl-9-(2-propan-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 62712367) is N-methyl-9-(2-propan-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-methyl-9-(2-propan-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-methyl-9-(2-propan-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine is CNC1CC2CCCC(C1)N2c1ccccc1C(C)C.
What is the InChIKey of N-methyl-9-(2-propan-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is DHMJWNYLEHQQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-13(2)17-9-4-5-10-18(17)20-15-7-6-8-16(20)12-14(11-15)19-3/h4-5,9-10,13-16,19H,6-8,11-12H2,1-3H3.
What are the key properties of N-methyl-9-(2-propan-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
N-methyl-9-(2-propan-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 272.44 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-(2-propan-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62712367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).