N-[(4-ethylcyclohexyl)methyl]-3-methylquinolin-2-amine

C19H26N2 — CID 63535077

IUPACN-[(4-ethylcyclohexyl)methyl]-3-methylquinolin-2-amine
SMILESCCC1CCC(CNc2nc3ccccc3cc2C)CC1
InChIInChI=1S/C19H26N2/c1-3-15-8-10-16(11-9-15)13-20-19-14(2)12-17-6-4-5-7-18(17)21-19/h4-7,12,15-16H,3,8-11,13H2,1-2H3,(H,20,21)
InChIKeyMVTNPUZPBVJERR-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.17
Rot. Bonds4

About N-[(4-ethylcyclohexyl)methyl]-3-methylquinolin-2-amine

N-[(4-ethylcyclohexyl)methyl]-3-methylquinolin-2-amine (PubChem CID 63535077) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-3-methylquinolin-2-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-3-methylquinolin-2-amine
PubChem CID63535077
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-3-methylquinolin-2-amine
SMILESCCC1CCC(CNc2nc3ccccc3cc2C)CC1
InChIInChI=1S/C19H26N2/c1-3-15-8-10-16(11-9-15)13-20-19-14(2)12-17-6-4-5-7-18(17)21-19/h4-7,12,15-16H,3,8-11,13H2,1-2H3,(H,20,21)
InChIKeyMVTNPUZPBVJERR-UHFFFAOYSA-N
XLogP5.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-3-methylquinolin-2-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-3-methylquinolin-2-amine (CID 63535077) is N-[(4-ethylcyclohexyl)methyl]-3-methylquinolin-2-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-3-methylquinolin-2-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-3-methylquinolin-2-amine is CCC1CCC(CNc2nc3ccccc3cc2C)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-3-methylquinolin-2-amine?
The InChIKey is MVTNPUZPBVJERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-3-15-8-10-16(11-9-15)13-20-19-14(2)12-17-6-4-5-7-18(17)21-19/h4-7,12,15-16H,3,8-11,13H2,1-2H3,(H,20,21).
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-3-methylquinolin-2-amine?
N-[(4-ethylcyclohexyl)methyl]-3-methylquinolin-2-amine has a molecular weight of 282.43 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-3-methylquinolin-2-amine is sourced from PubChem (CID 63535077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).