(1S)-1-cyclohexyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine

C19H30N2 — CID 81390953

IUPAC(1S)-1-cyclohexyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine
SMILESC[C@H](NCc1ccc2c(c1)CCCN2C)C1CCCCC1
InChIInChI=1S/C19H30N2/c1-15(17-7-4-3-5-8-17)20-14-16-10-11-19-18(13-16)9-6-12-21(19)2/h10-11,13,15,17,20H,3-9,12,14H2,1-2H3/t15-/m0/s1
InChIKeyHUYUGGQOYLPHSY-HNNXBMFYSA-N
MW286.46 g/mol
LogP4.13
Rot. Bonds4

About (1S)-1-cyclohexyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine

(1S)-1-cyclohexyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine (PubChem CID 81390953) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine
PubChem CID81390953
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name(1S)-1-cyclohexyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine
SMILESC[C@H](NCc1ccc2c(c1)CCCN2C)C1CCCCC1
InChIInChI=1S/C19H30N2/c1-15(17-7-4-3-5-8-17)20-14-16-10-11-19-18(13-16)9-6-12-21(19)2/h10-11,13,15,17,20H,3-9,12,14H2,1-2H3/t15-/m0/s1
InChIKeyHUYUGGQOYLPHSY-HNNXBMFYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze (1S)-1-cyclohexyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine with MolForge

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Related Compounds

(1S)-1-cycloheptyl-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 81391872
6-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]heptan-2-amine
CID 63421316
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 63477303
(1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 81384359
2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]-N-propylpropanamide
CID 62097569
(2R)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol
CID 113498869
2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclohexan-1-amine
CID 25219747
(1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 81390721
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
CID 62070504
(1R)-1-(furan-2-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine
CID 81402693
3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904608
3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclopentan-1-amine
CID 115653008

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-cyclohexyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine (CID 81390953) is (1S)-1-cyclohexyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cyclohexyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine is C[C@H](NCc1ccc2c(c1)CCCN2C)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine?
The InChIKey is HUYUGGQOYLPHSY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15(17-7-4-3-5-8-17)20-14-16-10-11-19-18(13-16)9-6-12-21(19)2/h10-11,13,15,17,20H,3-9,12,14H2,1-2H3/t15-/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine?
(1S)-1-cyclohexyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine has a molecular weight of 286.46 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine is sourced from PubChem (CID 81390953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).