3-[(3,4-dimethylcyclohexyl)oxymethyl]quinolin-2-amine

C18H24N2O — CID 64744814

IUPAC3-[(3,4-dimethylcyclohexyl)oxymethyl]quinolin-2-amine
SMILESCC1CCC(OCc2cc3ccccc3nc2N)CC1C
InChIInChI=1S/C18H24N2O/c1-12-7-8-16(9-13(12)2)21-11-15-10-14-5-3-4-6-17(14)20-18(15)19/h3-6,10,12-13,16H,7-9,11H2,1-2H3,(H2,19,20)
InChIKeyLHXDGYNTECIVQH-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.16
Rot. Bonds3

About 3-[(3,4-dimethylcyclohexyl)oxymethyl]quinolin-2-amine

3-[(3,4-dimethylcyclohexyl)oxymethyl]quinolin-2-amine (PubChem CID 64744814) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[(3,4-dimethylcyclohexyl)oxymethyl]quinolin-2-amine.

Molecular Properties

Compound Name3-[(3,4-dimethylcyclohexyl)oxymethyl]quinolin-2-amine
PubChem CID64744814
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-[(3,4-dimethylcyclohexyl)oxymethyl]quinolin-2-amine
SMILESCC1CCC(OCc2cc3ccccc3nc2N)CC1C
InChIInChI=1S/C18H24N2O/c1-12-7-8-16(9-13(12)2)21-11-15-10-14-5-3-4-6-17(14)20-18(15)19/h3-6,10,12-13,16H,7-9,11H2,1-2H3,(H2,19,20)
InChIKeyLHXDGYNTECIVQH-UHFFFAOYSA-N
XLogP4.16
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclohexyloxymethyl)quinolin-2-amine
CID 62194016
[3-[(4-methylcyclohexyl)oxymethyl]quinolin-2-yl]hydrazine
CID 62245063
[3-[(3-methylcyclohexyl)oxymethyl]quinolin-2-yl]hydrazine
CID 62245639
3-(heptoxymethyl)quinolin-2-amine
CID 62194119
2,6-dichloro-3-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine
CID 106994606
5-bromo-2-[(3,4-dimethylcyclohexyl)oxymethyl]aniline
CID 114380858
1-[(2-aminoquinolin-3-yl)methyl]-3-methylpiperidin-4-ol
CID 114681766
2-[(3,4-dimethylcyclohexyl)oxymethyl]-1,3-benzoxazol-5-amine
CID 79973320
3-(2,2-difluoroethoxymethyl)quinolin-2-amine
CID 82007215
2-(3,4-dimethylcyclohexyl)oxyquinoline-3-carbonitrile
CID 64746139
3-[(3-methylphenoxy)methyl]quinolin-2-amine
CID 62193527
3-octylquinolin-2-amine
CID 23131231

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylcyclohexyl)oxymethyl]quinolin-2-amine?
The IUPAC name of 3-[(3,4-dimethylcyclohexyl)oxymethyl]quinolin-2-amine (CID 64744814) is 3-[(3,4-dimethylcyclohexyl)oxymethyl]quinolin-2-amine.
What is the SMILES notation for 3-[(3,4-dimethylcyclohexyl)oxymethyl]quinolin-2-amine?
The canonical SMILES for 3-[(3,4-dimethylcyclohexyl)oxymethyl]quinolin-2-amine is CC1CCC(OCc2cc3ccccc3nc2N)CC1C.
What is the InChIKey of 3-[(3,4-dimethylcyclohexyl)oxymethyl]quinolin-2-amine?
The InChIKey is LHXDGYNTECIVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12-7-8-16(9-13(12)2)21-11-15-10-14-5-3-4-6-17(14)20-18(15)19/h3-6,10,12-13,16H,7-9,11H2,1-2H3,(H2,19,20).
What are the key properties of 3-[(3,4-dimethylcyclohexyl)oxymethyl]quinolin-2-amine?
3-[(3,4-dimethylcyclohexyl)oxymethyl]quinolin-2-amine has a molecular weight of 284.40 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylcyclohexyl)oxymethyl]quinolin-2-amine is sourced from PubChem (CID 64744814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).