N-methyl-1-[1-(2-methylphenyl)cycloheptyl]methanamine

C16H25N — CID 62596949

IUPACN-methyl-1-[1-(2-methylphenyl)cycloheptyl]methanamine
SMILESCNCC1(c2ccccc2C)CCCCCC1
InChIInChI=1S/C16H25N/c1-14-9-5-6-10-15(14)16(13-17-2)11-7-3-4-8-12-16/h5-6,9-10,17H,3-4,7-8,11-13H2,1-2H3
InChIKeyHNDYXFWOOCAUCF-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.81
Rot. Bonds3

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

N-methyl-1-[1-(2-methylphenyl)cycloheptyl]methanamine (PubChem CID 62596949) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-methyl-1-[1-(2-methylphenyl)cycloheptyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-methylphenyl)cycloheptyl]methanamine
PubChem CID62596949
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-methyl-1-[1-(2-methylphenyl)cycloheptyl]methanamine
SMILESCNCC1(c2ccccc2C)CCCCCC1
InChIInChI=1S/C16H25N/c1-14-9-5-6-10-15(14)16(13-17-2)11-7-3-4-8-12-16/h5-6,9-10,17H,3-4,7-8,11-13H2,1-2H3
InChIKeyHNDYXFWOOCAUCF-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-methylphenyl)cycloheptyl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-methylphenyl)cycloheptyl]methanamine (CID 62596949) is N-methyl-1-[1-(2-methylphenyl)cycloheptyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-methylphenyl)cycloheptyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-methylphenyl)cycloheptyl]methanamine is CNCC1(c2ccccc2C)CCCCCC1.
What is the InChIKey of N-methyl-1-[1-(2-methylphenyl)cycloheptyl]methanamine?
The InChIKey is HNDYXFWOOCAUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-14-9-5-6-10-15(14)16(13-17-2)11-7-3-4-8-12-16/h5-6,9-10,17H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of N-methyl-1-[1-(2-methylphenyl)cycloheptyl]methanamine?
N-methyl-1-[1-(2-methylphenyl)cycloheptyl]methanamine has a molecular weight of 231.38 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-methylphenyl)cycloheptyl]methanamine is sourced from PubChem (CID 62596949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).