[1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

C18H26N2O — CID 115441389

IUPAC[1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1CCC(CN)(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C18H26N2O/c1-14-8-10-18(13-19,11-9-14)17(21)20-12-4-6-15-5-2-3-7-16(15)20/h2-3,5,7,14H,4,6,8-13,19H2,1H3
InChIKeyYJAVSUXMTTYFBS-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.12
Rot. Bonds2

About [1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

[1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 115441389) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is [1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID115441389
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name[1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1CCC(CN)(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C18H26N2O/c1-14-8-10-18(13-19,11-9-14)17(21)20-12-4-6-15-5-2-3-7-16(15)20/h2-3,5,7,14H,4,6,8-13,19H2,1H3
InChIKeyYJAVSUXMTTYFBS-UHFFFAOYSA-N
XLogP3.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)-4-methylcyclohexyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103495287
3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone
CID 108987982
(1-aminocyclobutyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81179499
1-[1-(aminomethyl)cyclobutanecarbonyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 115448262
3,4-dihydro-2H-quinolin-1-yl-[1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]methanone
CID 108981201
[1-(aminomethyl)-3-methylcyclobutyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 80587521
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
CID 108505638
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 18834249
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 113310414
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
azepan-1-yl-[1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropyl]methanone
CID 108980420
N-[4-(4-methylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 143736687

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 115441389) is [1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is CC1CCC(CN)(C(=O)N2CCCc3ccccc32)CC1.
What is the InChIKey of [1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is YJAVSUXMTTYFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14-8-10-18(13-19,11-9-14)17(21)20-12-4-6-15-5-2-3-7-16(15)20/h2-3,5,7,14H,4,6,8-13,19H2,1H3.
What are the key properties of [1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 286.42 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 115441389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).