N-[(2,4-dimethylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C18H28N2 — CID 65471992

IUPACN-[(2,4-dimethylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCc1ccc(CNC2CC3CCCC(C2)N3C)c(C)c1
InChIInChI=1S/C18H28N2/c1-13-7-8-15(14(2)9-13)12-19-16-10-17-5-4-6-18(11-16)20(17)3/h7-9,16-19H,4-6,10-12H2,1-3H3
InChIKeyCJYUDTXFVAXJMX-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.41
Rot. Bonds3

About N-[(2,4-dimethylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

N-[(2,4-dimethylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 65471992) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID65471992
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCc1ccc(CNC2CC3CCCC(C2)N3C)c(C)c1
InChIInChI=1S/C18H28N2/c1-13-7-8-15(14(2)9-13)12-19-16-10-17-5-4-6-18(11-16)20(17)3/h7-9,16-19H,4-6,10-12H2,1-3H3
InChIKeyCJYUDTXFVAXJMX-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chloro-2-fluorophenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 114842413
N-[(5-bromo-2-chlorophenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 103793219
N-[(2,4-dimethylphenyl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83006518
9-methyl-N-[(5-methylthiophen-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471235
9-methyl-N-[(5-methylfuran-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471793
N-[[4-(2,4-dimethylphenyl)sulfanyl-2-methylphenyl]methyl]cyclopropanamine
CID 63804914
N-[(2-ethoxyphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472919
N-[(2-chloro-4-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 106863004
N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106862588
3-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 54971817
N-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 78916571
N-[(3-chloro-5-fluorophenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 114452947

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 65471992) is N-[(2,4-dimethylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is Cc1ccc(CNC2CC3CCCC(C2)N3C)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is CJYUDTXFVAXJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-13-7-8-15(14(2)9-13)12-19-16-10-17-5-4-6-18(11-16)20(17)3/h7-9,16-19H,4-6,10-12H2,1-3H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-[(2,4-dimethylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 272.44 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 65471992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).