1-(3,5-dimethylcyclohexyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine

C18H28N2 — CID 64734907

IUPAC1-(3,5-dimethylcyclohexyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine
SMILESCNC1CCN(C2CC(C)CC(C)C2)c2ccccc21
InChIInChI=1S/C18H28N2/c1-13-10-14(2)12-15(11-13)20-9-8-17(19-3)16-6-4-5-7-18(16)20/h4-7,13-15,17,19H,8-12H2,1-3H3
InChIKeyUFWQZJPMGRFSCJ-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.98
Rot. Bonds2

About 1-(3,5-dimethylcyclohexyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine

1-(3,5-dimethylcyclohexyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine (PubChem CID 64734907) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine
PubChem CID64734907
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-(3,5-dimethylcyclohexyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine
SMILESCNC1CCN(C2CC(C)CC(C)C2)c2ccccc21
InChIInChI=1S/C18H28N2/c1-13-10-14(2)12-15(11-13)20-9-8-17(19-3)16-6-4-5-7-18(16)20/h4-7,13-15,17,19H,8-12H2,1-3H3
InChIKeyUFWQZJPMGRFSCJ-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine (CID 64734907) is 1-(3,5-dimethylcyclohexyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine is CNC1CCN(C2CC(C)CC(C)C2)c2ccccc21.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine?
The InChIKey is UFWQZJPMGRFSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-13-10-14(2)12-15(11-13)20-9-8-17(19-3)16-6-4-5-7-18(16)20/h4-7,13-15,17,19H,8-12H2,1-3H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine?
1-(3,5-dimethylcyclohexyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine has a molecular weight of 272.44 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine is sourced from PubChem (CID 64734907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).