N-(cyclohexylmethyl)-4-methylquinolin-2-amine

C17H22N2 — CID 4826143

IUPACN-(cyclohexylmethyl)-4-methylquinolin-2-amine
SMILESCc1cc(NCC2CCCCC2)nc2ccccc12
InChIInChI=1S/C17H22N2/c1-13-11-17(18-12-14-7-3-2-4-8-14)19-16-10-6-5-9-15(13)16/h5-6,9-11,14H,2-4,7-8,12H2,1H3,(H,18,19)
InChIKeyGHKCUYOQOJIXEZ-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.54
Rot. Bonds3

About N-(cyclohexylmethyl)-4-methylquinolin-2-amine

N-(cyclohexylmethyl)-4-methylquinolin-2-amine (PubChem CID 4826143) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-methylquinolin-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-methylquinolin-2-amine
PubChem CID4826143
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-(cyclohexylmethyl)-4-methylquinolin-2-amine
SMILESCc1cc(NCC2CCCCC2)nc2ccccc12
InChIInChI=1S/C17H22N2/c1-13-11-17(18-12-14-7-3-2-4-8-14)19-16-10-6-5-9-15(13)16/h5-6,9-11,14H,2-4,7-8,12H2,1H3,(H,18,19)
InChIKeyGHKCUYOQOJIXEZ-UHFFFAOYSA-N
XLogP4.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-methylquinolin-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-4-methylquinolin-2-amine (CID 4826143) is N-(cyclohexylmethyl)-4-methylquinolin-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-4-methylquinolin-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-4-methylquinolin-2-amine is Cc1cc(NCC2CCCCC2)nc2ccccc12.
What is the InChIKey of N-(cyclohexylmethyl)-4-methylquinolin-2-amine?
The InChIKey is GHKCUYOQOJIXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13-11-17(18-12-14-7-3-2-4-8-14)19-16-10-6-5-9-15(13)16/h5-6,9-11,14H,2-4,7-8,12H2,1H3,(H,18,19).
What are the key properties of N-(cyclohexylmethyl)-4-methylquinolin-2-amine?
N-(cyclohexylmethyl)-4-methylquinolin-2-amine has a molecular weight of 254.38 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-methylquinolin-2-amine is sourced from PubChem (CID 4826143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).