9-(2,3-dimethylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

C19H30N2 — CID 62714500

IUPAC9-(2,3-dimethylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2c1cccc(C)c1C
InChIInChI=1S/C19H30N2/c1-4-11-20-16-12-17-8-6-9-18(13-16)21(17)19-10-5-7-14(2)15(19)3/h5,7,10,16-18,20H,4,6,8-9,11-13H2,1-3H3
InChIKeyFQGYVTBIYDVYLV-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.19
Rot. Bonds4

About 9-(2,3-dimethylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

9-(2,3-dimethylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62714500) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 9-(2,3-dimethylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(2,3-dimethylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62714500
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name9-(2,3-dimethylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2c1cccc(C)c1C
InChIInChI=1S/C19H30N2/c1-4-11-20-16-12-17-8-6-9-18(13-16)21(17)19-10-5-7-14(2)15(19)3/h5,7,10,16-18,20H,4,6,8-9,11-13H2,1-3H3
InChIKeyFQGYVTBIYDVYLV-UHFFFAOYSA-N
XLogP4.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(2,3-dimethylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106077
9-(2,3-difluorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713644
8-(2,6-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738579
2-methyl-6-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]benzonitrile
CID 107801539
9-(2-methylsulfanylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107646036
9-(2-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713435
9-(5-fluoro-2-methylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714679
9-(4-chloro-2-methylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714698
N-ethyl-9-(3-fluoro-2-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713995
9-(3-bromo-2-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107639351
8-(2-bromophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739604
8-(2,4-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739794

Frequently Asked Questions

What is the IUPAC name of 9-(2,3-dimethylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(2,3-dimethylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 62714500) is 9-(2,3-dimethylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(2,3-dimethylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(2,3-dimethylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is CCCNC1CC2CCCC(C1)N2c1cccc(C)c1C.
What is the InChIKey of 9-(2,3-dimethylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is FQGYVTBIYDVYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-4-11-20-16-12-17-8-6-9-18(13-16)21(17)19-10-5-7-14(2)15(19)3/h5,7,10,16-18,20H,4,6,8-9,11-13H2,1-3H3.
What are the key properties of 9-(2,3-dimethylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-(2,3-dimethylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 286.46 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3-dimethylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62714500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).