N-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine

C17H21ClN2 — CID 115958999

IUPACN-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H21ClN2/c1-12-5-2-3-7-16(12)20-11-13-8-9-15(18)14-6-4-10-19-17(13)14/h4,6,8-10,12,16,20H,2-3,5,7,11H2,1H3
InChIKeyYKPSNFZFHPFHEQ-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.56
Rot. Bonds3

About N-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine

N-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine (PubChem CID 115958999) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is N-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine
PubChem CID115958999
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC NameN-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H21ClN2/c1-12-5-2-3-7-16(12)20-11-13-8-9-15(18)14-6-4-10-19-17(13)14/h4,6,8-10,12,16,20H,2-3,5,7,11H2,1H3
InChIKeyYKPSNFZFHPFHEQ-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloroquinolin-8-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115697528
N-[(5-chloroquinolin-8-yl)methyl]-2-ethylcyclopropan-1-amine
CID 103765936
N-[(5-chloroquinolin-8-yl)methyl]-2-cyclopropyloxolan-3-amine
CID 103580673
N-[(2-chlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43079937
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
N-[(5-chloroquinolin-8-yl)methyl]-1-(thian-2-yl)methanamine
CID 115959439
N-[(5-chloroquinolin-8-yl)methyl]-2,2-dimethyloxan-4-amine
CID 115764370
N-[(2,3-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43078350
1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine
CID 112686388
5-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline
CID 55852938
1-[(5-chloroquinolin-8-yl)methyl]-4-methylpiperidin-3-amine
CID 115959704
2-(5-chloroquinolin-8-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 8716448

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine?
The IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine (CID 115958999) is N-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for N-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine is CC1CCCCC1NCc1ccc(Cl)c2cccnc12.
What is the InChIKey of N-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine?
The InChIKey is YKPSNFZFHPFHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-12-5-2-3-7-16(12)20-11-13-8-9-15(18)14-6-4-10-19-17(13)14/h4,6,8-10,12,16,20H,2-3,5,7,11H2,1H3.
What are the key properties of N-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine?
N-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine has a molecular weight of 288.82 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 115958999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).