(3-ethylcyclohexyl)-(2-methylquinolin-6-yl)methanamine

C19H26N2 — CID 81228911

IUPAC(3-ethylcyclohexyl)-(2-methylquinolin-6-yl)methanamine
SMILESCCC1CCCC(C(N)c2ccc3nc(C)ccc3c2)C1
InChIInChI=1S/C19H26N2/c1-3-14-5-4-6-16(11-14)19(20)17-9-10-18-15(12-17)8-7-13(2)21-18/h7-10,12,14,16,19H,3-6,11,20H2,1-2H3
InChIKeyMMRDUYFXRYCWLT-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.76
Rot. Bonds3

About (3-ethylcyclohexyl)-(2-methylquinolin-6-yl)methanamine

(3-ethylcyclohexyl)-(2-methylquinolin-6-yl)methanamine (PubChem CID 81228911) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(2-methylquinolin-6-yl)methanamine.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(2-methylquinolin-6-yl)methanamine
PubChem CID81228911
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name(3-ethylcyclohexyl)-(2-methylquinolin-6-yl)methanamine
SMILESCCC1CCCC(C(N)c2ccc3nc(C)ccc3c2)C1
InChIInChI=1S/C19H26N2/c1-3-14-5-4-6-16(11-14)19(20)17-9-10-18-15(12-17)8-7-13(2)21-18/h7-10,12,14,16,19H,3-6,11,20H2,1-2H3
InChIKeyMMRDUYFXRYCWLT-UHFFFAOYSA-N
XLogP4.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(2-methylquinolin-6-yl)methanamine?
The IUPAC name of (3-ethylcyclohexyl)-(2-methylquinolin-6-yl)methanamine (CID 81228911) is (3-ethylcyclohexyl)-(2-methylquinolin-6-yl)methanamine.
What is the SMILES notation for (3-ethylcyclohexyl)-(2-methylquinolin-6-yl)methanamine?
The canonical SMILES for (3-ethylcyclohexyl)-(2-methylquinolin-6-yl)methanamine is CCC1CCCC(C(N)c2ccc3nc(C)ccc3c2)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(2-methylquinolin-6-yl)methanamine?
The InChIKey is MMRDUYFXRYCWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-3-14-5-4-6-16(11-14)19(20)17-9-10-18-15(12-17)8-7-13(2)21-18/h7-10,12,14,16,19H,3-6,11,20H2,1-2H3.
What are the key properties of (3-ethylcyclohexyl)-(2-methylquinolin-6-yl)methanamine?
(3-ethylcyclohexyl)-(2-methylquinolin-6-yl)methanamine has a molecular weight of 282.43 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-(2-methylquinolin-6-yl)methanamine is sourced from PubChem (CID 81228911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).