9-methyl-N-[1-(2-methylphenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine

C18H28N2 — CID 65472551

IUPAC9-methyl-N-[1-(2-methylphenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCc1ccccc1C(C)NC1CC2CCCC(C1)N2C
InChIInChI=1S/C18H28N2/c1-13-7-4-5-10-18(13)14(2)19-15-11-16-8-6-9-17(12-15)20(16)3/h4-5,7,10,14-17,19H,6,8-9,11-12H2,1-3H3
InChIKeyONNXRUGQLAPQTR-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.66
Rot. Bonds3

About 9-methyl-N-[1-(2-methylphenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine

9-methyl-N-[1-(2-methylphenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 65472551) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 9-methyl-N-[1-(2-methylphenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-methyl-N-[1-(2-methylphenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID65472551
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name9-methyl-N-[1-(2-methylphenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCc1ccccc1C(C)NC1CC2CCCC(C1)N2C
InChIInChI=1S/C18H28N2/c1-13-7-4-5-10-18(13)14(2)19-15-11-16-8-6-9-17(12-15)20(16)3/h4-5,7,10,14-17,19H,6,8-9,11-12H2,1-3H3
InChIKeyONNXRUGQLAPQTR-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471035
3-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 43081561
N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43732518
N-[(1R)-1-(2-methylphenyl)ethyl]oxetan-3-amine
CID 81373882
3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentan-1-amine
CID 81374284
N-[(1S)-1-(2-methylphenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 81375684
N-[(1R)-1-(2-methylphenyl)ethyl]piperidin-3-amine
CID 81373256
4-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 43081539
3-[[(1R)-1-(2-methylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 104881612
N-[(1R)-1-(2-methylphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 28652659
9-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471234
4,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 81373520

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[1-(2-methylphenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-methyl-N-[1-(2-methylphenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine (CID 65472551) is 9-methyl-N-[1-(2-methylphenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-methyl-N-[1-(2-methylphenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-methyl-N-[1-(2-methylphenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine is Cc1ccccc1C(C)NC1CC2CCCC(C1)N2C.
What is the InChIKey of 9-methyl-N-[1-(2-methylphenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is ONNXRUGQLAPQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-13-7-4-5-10-18(13)14(2)19-15-11-16-8-6-9-17(12-15)20(16)3/h4-5,7,10,14-17,19H,6,8-9,11-12H2,1-3H3.
What are the key properties of 9-methyl-N-[1-(2-methylphenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine?
9-methyl-N-[1-(2-methylphenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 272.44 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-[1-(2-methylphenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 65472551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).