[1-(aminomethyl)-3-methylcyclohexyl]-quinolin-4-ylmethanol

C18H24N2O — CID 79124145

IUPAC[1-(aminomethyl)-3-methylcyclohexyl]-quinolin-4-ylmethanol
SMILESCC1CCCC(CN)(C(O)c2ccnc3ccccc23)C1
InChIInChI=1S/C18H24N2O/c1-13-5-4-9-18(11-13,12-19)17(21)15-8-10-20-16-7-3-2-6-14(15)16/h2-3,6-8,10,13,17,21H,4-5,9,11-12,19H2,1H3
InChIKeyGBXUWJFFPWYBNH-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.42
Rot. Bonds3

About [1-(aminomethyl)-3-methylcyclohexyl]-quinolin-4-ylmethanol

[1-(aminomethyl)-3-methylcyclohexyl]-quinolin-4-ylmethanol (PubChem CID 79124145) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclohexyl]-quinolin-4-ylmethanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclohexyl]-quinolin-4-ylmethanol
PubChem CID79124145
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name[1-(aminomethyl)-3-methylcyclohexyl]-quinolin-4-ylmethanol
SMILESCC1CCCC(CN)(C(O)c2ccnc3ccccc23)C1
InChIInChI=1S/C18H24N2O/c1-13-5-4-9-18(11-13,12-19)17(21)15-8-10-20-16-7-3-2-6-14(15)16/h2-3,6-8,10,13,17,21H,4-5,9,11-12,19H2,1H3
InChIKeyGBXUWJFFPWYBNH-UHFFFAOYSA-N
XLogP3.42
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)-3-methylcyclohexyl]-(1-benzothiophen-3-yl)methanol
CID 79138166
1-[hydroxy(quinolin-4-yl)methyl]-3-methylcyclopentane-1-carbonitrile
CID 79136284
[1-(aminomethyl)cyclobutyl]-(2-methylquinolin-4-yl)methanol
CID 79235625
[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylphenyl)methanol
CID 79138054
[1-(aminomethyl)-3-methylcyclopentyl]-quinolin-8-ylmethanol
CID 79124362
(4-methylcyclohexyl)-quinolin-4-ylmethanol
CID 64749766
[1-(aminomethyl)-3-methylcyclohexyl]-(6-methoxy-2-pyridinyl)methanol
CID 103348712
[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylthiophen-2-yl)methanol
CID 79137952
(S)-[1-(aminomethyl)-3-methylcyclobutyl]-(2-methylphenyl)methanol
CID 97035285
[1-(aminomethyl)-3-methylcyclohexyl]-(3,5-dimethoxyphenyl)methanol
CID 79123902
[1-(aminomethyl)-3-methylcyclohexyl]-(4,5-dibromofuran-2-yl)methanol
CID 79134896
[1-(aminomethyl)-3-methylcyclopentyl]-(2,5-dimethylphenyl)methanol
CID 79138249

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclohexyl]-quinolin-4-ylmethanol?
The IUPAC name of [1-(aminomethyl)-3-methylcyclohexyl]-quinolin-4-ylmethanol (CID 79124145) is [1-(aminomethyl)-3-methylcyclohexyl]-quinolin-4-ylmethanol.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclohexyl]-quinolin-4-ylmethanol?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclohexyl]-quinolin-4-ylmethanol is CC1CCCC(CN)(C(O)c2ccnc3ccccc23)C1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclohexyl]-quinolin-4-ylmethanol?
The InChIKey is GBXUWJFFPWYBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-5-4-9-18(11-13,12-19)17(21)15-8-10-20-16-7-3-2-6-14(15)16/h2-3,6-8,10,13,17,21H,4-5,9,11-12,19H2,1H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclohexyl]-quinolin-4-ylmethanol?
[1-(aminomethyl)-3-methylcyclohexyl]-quinolin-4-ylmethanol has a molecular weight of 284.40 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-methylcyclohexyl]-quinolin-4-ylmethanol is sourced from PubChem (CID 79124145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).