N-methyl-9-(4-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine

C18H28N2 — CID 62714345

IUPACN-methyl-9-(4-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCc1ccc(N2C3CCCC2CC(NC)C3)cc1
InChIInChI=1S/C18H28N2/c1-3-5-14-8-10-16(11-9-14)20-17-6-4-7-18(20)13-15(12-17)19-2/h8-11,15,17-19H,3-7,12-13H2,1-2H3
InChIKeyCTLZPBGZUPXAGH-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.75
Rot. Bonds4

About N-methyl-9-(4-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine

N-methyl-9-(4-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62714345) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-methyl-9-(4-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-methyl-9-(4-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62714345
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-methyl-9-(4-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCc1ccc(N2C3CCCC2CC(NC)C3)cc1
InChIInChI=1S/C18H28N2/c1-3-5-14-8-10-16(11-9-14)20-17-6-4-7-18(20)13-15(12-17)19-2/h8-11,15,17-19H,3-7,12-13H2,1-2H3
InChIKeyCTLZPBGZUPXAGH-UHFFFAOYSA-N
XLogP3.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-9-(4-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine with MolForge

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Related Compounds

N-methyl-9-phenyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106031
N-ethyl-9-(4-methylsulfanylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712731
8-(4-bromophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739801
8-(4-chlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106091
9-(3-chloro-4-methylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713614
N-methyl-9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105936
N-methyl-9-(1-methylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712206
N-methyl-9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62812956
9-(3-chloro-4-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713793
9-(3-methoxyphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106268
8-(3,4-dichlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738935
8-(3,4-dimethylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739961

Frequently Asked Questions

What is the IUPAC name of N-methyl-9-(4-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-methyl-9-(4-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 62714345) is N-methyl-9-(4-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-methyl-9-(4-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-methyl-9-(4-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine is CCCc1ccc(N2C3CCCC2CC(NC)C3)cc1.
What is the InChIKey of N-methyl-9-(4-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is CTLZPBGZUPXAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-3-5-14-8-10-16(11-9-14)20-17-6-4-7-18(20)13-15(12-17)19-2/h8-11,15,17-19H,3-7,12-13H2,1-2H3.
What are the key properties of N-methyl-9-(4-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
N-methyl-9-(4-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 272.44 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-(4-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62714345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).