N-[(4-methyl-2-quinolin-5-ylcyclohexyl)methyl]ethanamine

C19H26N2 — CID 81228450

IUPACN-[(4-methyl-2-quinolin-5-ylcyclohexyl)methyl]ethanamine
SMILESCCNCC1CCC(C)CC1c1cccc2ncccc12
InChIInChI=1S/C19H26N2/c1-3-20-13-15-10-9-14(2)12-18(15)16-6-4-8-19-17(16)7-5-11-21-19/h4-8,11,14-15,18,20H,3,9-10,12-13H2,1-2H3
InChIKeyCQSHAIGMOVXUSW-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.36
Rot. Bonds4

About N-[(4-methyl-2-quinolin-5-ylcyclohexyl)methyl]ethanamine

N-[(4-methyl-2-quinolin-5-ylcyclohexyl)methyl]ethanamine (PubChem CID 81228450) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[(4-methyl-2-quinolin-5-ylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methyl-2-quinolin-5-ylcyclohexyl)methyl]ethanamine
PubChem CID81228450
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-[(4-methyl-2-quinolin-5-ylcyclohexyl)methyl]ethanamine
SMILESCCNCC1CCC(C)CC1c1cccc2ncccc12
InChIInChI=1S/C19H26N2/c1-3-20-13-15-10-9-14(2)12-18(15)16-6-4-8-19-17(16)7-5-11-21-19/h4-8,11,14-15,18,20H,3,9-10,12-13H2,1-2H3
InChIKeyCQSHAIGMOVXUSW-UHFFFAOYSA-N
XLogP4.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-quinolin-5-ylcyclobutyl)methyl]propan-2-amine
CID 81222405
N-[(2-quinolin-8-ylcyclobutyl)methyl]ethanamine
CID 81223017
N-[[4-methyl-2-(6-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine
CID 81031650
2-methyl-N-propyl-3-quinolin-5-ylcyclopentan-1-amine
CID 81221949
N-[(2-quinolin-8-ylcyclopropyl)methyl]ethanamine
CID 63973584
N-[[2-(2-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]ethanamine
CID 81031795
N-[(2-naphthalen-1-ylcyclohexyl)methyl]ethanamine
CID 81028125
N-methyl-2-quinolin-5-ylcyclohexan-1-amine
CID 81224622
N-[[2-(1-benzofuran-2-yl)-4-methylcyclohexyl]methyl]ethanamine
CID 114735847
N-(3-methylcyclopentyl)quinolin-5-amine
CID 64501004
N-[[2-(3-bromo-2-fluorophenyl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 106647015
(4-methyl-2-naphthalen-1-ylcyclohexyl)methanamine
CID 81010085

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-quinolin-5-ylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(4-methyl-2-quinolin-5-ylcyclohexyl)methyl]ethanamine (CID 81228450) is N-[(4-methyl-2-quinolin-5-ylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methyl-2-quinolin-5-ylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(4-methyl-2-quinolin-5-ylcyclohexyl)methyl]ethanamine is CCNCC1CCC(C)CC1c1cccc2ncccc12.
What is the InChIKey of N-[(4-methyl-2-quinolin-5-ylcyclohexyl)methyl]ethanamine?
The InChIKey is CQSHAIGMOVXUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-3-20-13-15-10-9-14(2)12-18(15)16-6-4-8-19-17(16)7-5-11-21-19/h4-8,11,14-15,18,20H,3,9-10,12-13H2,1-2H3.
What are the key properties of N-[(4-methyl-2-quinolin-5-ylcyclohexyl)methyl]ethanamine?
N-[(4-methyl-2-quinolin-5-ylcyclohexyl)methyl]ethanamine has a molecular weight of 282.43 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-quinolin-5-ylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 81228450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).