2-chloro-N-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine

C17H21ClN2 — CID 102637488

IUPAC2-chloro-N-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine
SMILESCN(Cc1ccc2ncccc2c1)C1CCCCC1Cl
InChIInChI=1S/C17H21ClN2/c1-20(17-7-3-2-6-15(17)18)12-13-8-9-16-14(11-13)5-4-10-19-16/h4-5,8-11,15,17H,2-3,6-7,12H2,1H3
InChIKeyFKAUKSSMGTZXAW-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.22
Rot. Bonds3

About 2-chloro-N-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine

2-chloro-N-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine (PubChem CID 102637488) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine
PubChem CID102637488
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name2-chloro-N-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine
SMILESCN(Cc1ccc2ncccc2c1)C1CCCCC1Cl
InChIInChI=1S/C17H21ClN2/c1-20(17-7-3-2-6-15(17)18)12-13-8-9-16-14(11-13)5-4-10-19-16/h4-5,8-11,15,17H,2-3,6-7,12H2,1H3
InChIKeyFKAUKSSMGTZXAW-UHFFFAOYSA-N
XLogP4.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(quinolin-6-ylmethyl)piperidin-4-amine
CID 43607729
N-methyl-1,1-dioxo-N-(quinolin-6-ylmethyl)thiolan-3-amine
CID 46981762
2-[cyclopentyl(quinolin-6-ylmethyl)amino]ethanol
CID 62015236
1-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-2-amine
CID 104555130
2-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 63387914
4-[[methyl(quinolin-6-ylmethyl)amino]methyl]aniline
CID 43458332
1-[methyl(quinolin-6-ylmethyl)amino]propan-2-ol
CID 62335047
2-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine
CID 43183350
N-(2-bromoethyl)-N-(quinolin-6-ylmethyl)cyclopropanamine
CID 80669109
N-(3-bromopropyl)-N-(quinolin-6-ylmethyl)cyclobutanamine
CID 102860359
6-[(4-chloro-3-methylpiperidin-1-yl)methyl]quinoline
CID 114682261
N,N-dimethyl-1-[(quinolin-6-ylmethylamino)methyl]cyclobutan-1-amine
CID 105414996

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-chloro-N-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine (CID 102637488) is 2-chloro-N-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-chloro-N-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine is CN(Cc1ccc2ncccc2c1)C1CCCCC1Cl.
What is the InChIKey of 2-chloro-N-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine?
The InChIKey is FKAUKSSMGTZXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-20(17-7-3-2-6-15(17)18)12-13-8-9-16-14(11-13)5-4-10-19-16/h4-5,8-11,15,17H,2-3,6-7,12H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine?
2-chloro-N-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine has a molecular weight of 288.82 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 102637488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).