2-methyl-N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-1-amine

C19H31N — CID 63516825

IUPAC2-methyl-N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-1-amine
SMILESCc1ccccc1C1(CNCC(C)C)CCCCCC1
InChIInChI=1S/C19H31N/c1-16(2)14-20-15-19(12-8-4-5-9-13-19)18-11-7-6-10-17(18)3/h6-7,10-11,16,20H,4-5,8-9,12-15H2,1-3H3
InChIKeyJLBBEKNCYCQIJW-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.83
Rot. Bonds5

About 2-methyl-N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-1-amine

2-methyl-N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-1-amine (PubChem CID 63516825) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-1-amine
PubChem CID63516825
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name2-methyl-N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-1-amine
SMILESCc1ccccc1C1(CNCC(C)C)CCCCCC1
InChIInChI=1S/C19H31N/c1-16(2)14-20-15-19(12-8-4-5-9-13-19)18-11-7-6-10-17(18)3/h6-7,10-11,16,20H,4-5,8-9,12-15H2,1-3H3
InChIKeyJLBBEKNCYCQIJW-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-1-amine (CID 63516825) is 2-methyl-N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-1-amine is Cc1ccccc1C1(CNCC(C)C)CCCCCC1.
What is the InChIKey of 2-methyl-N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-1-amine?
The InChIKey is JLBBEKNCYCQIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-16(2)14-20-15-19(12-8-4-5-9-13-19)18-11-7-6-10-17(18)3/h6-7,10-11,16,20H,4-5,8-9,12-15H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-1-amine?
2-methyl-N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-1-amine is sourced from PubChem (CID 63516825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).