[1-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylcyclohexyl]methanamine

C18H28N2 — CID 64753229

IUPAC[1-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylcyclohexyl]methanamine
SMILESCC1CC(C)CC(CN)(N2CCCc3ccccc32)C1
InChIInChI=1S/C18H28N2/c1-14-10-15(2)12-18(11-14,13-19)20-9-5-7-16-6-3-4-8-17(16)20/h3-4,6,8,14-15H,5,7,9-13,19H2,1-2H3
InChIKeyIMXPMQBFJYMMBU-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.59
Rot. Bonds2

About [1-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylcyclohexyl]methanamine

[1-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylcyclohexyl]methanamine (PubChem CID 64753229) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is [1-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylcyclohexyl]methanamine
PubChem CID64753229
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name[1-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylcyclohexyl]methanamine
SMILESCC1CC(C)CC(CN)(N2CCCc3ccccc32)C1
InChIInChI=1S/C18H28N2/c1-14-10-15(2)12-18(11-14,13-19)20-9-5-7-16-6-3-4-8-17(16)20/h3-4,6,8,14-15H,5,7,9-13,19H2,1-2H3
InChIKeyIMXPMQBFJYMMBU-UHFFFAOYSA-N
XLogP3.59
TPSA29.26 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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylcyclohexyl]methanamine?
The IUPAC name of [1-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylcyclohexyl]methanamine (CID 64753229) is [1-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [1-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylcyclohexyl]methanamine?
The canonical SMILES for [1-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylcyclohexyl]methanamine is CC1CC(C)CC(CN)(N2CCCc3ccccc32)C1.
What is the InChIKey of [1-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylcyclohexyl]methanamine?
The InChIKey is IMXPMQBFJYMMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14-10-15(2)12-18(11-14,13-19)20-9-5-7-16-6-3-4-8-17(16)20/h3-4,6,8,14-15H,5,7,9-13,19H2,1-2H3.
What are the key properties of [1-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylcyclohexyl]methanamine?
[1-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylcyclohexyl]methanamine has a molecular weight of 272.44 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 64753229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).