[1-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexyl]methanamine

C18H28N2 — CID 63495649

IUPAC[1-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexyl]methanamine
SMILESCC1Cc2ccccc2N(CC2(CN)CCCCC2)C1
InChIInChI=1S/C18H28N2/c1-15-11-16-7-3-4-8-17(16)20(12-15)14-18(13-19)9-5-2-6-10-18/h3-4,7-8,15H,2,5-6,9-14,19H2,1H3
InChIKeyJWVHKPNTPLTCHO-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.59
Rot. Bonds3

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

[1-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexyl]methanamine (PubChem CID 63495649) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is [1-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexyl]methanamine
PubChem CID63495649
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name[1-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexyl]methanamine
SMILESCC1Cc2ccccc2N(CC2(CN)CCCCC2)C1
InChIInChI=1S/C18H28N2/c1-15-11-16-7-3-4-8-17(16)20(12-15)14-18(13-19)9-5-2-6-10-18/h3-4,7-8,15H,2,5-6,9-14,19H2,1H3
InChIKeyJWVHKPNTPLTCHO-UHFFFAOYSA-N
XLogP3.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [1-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexyl]methanamine (CID 63495649) is [1-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexyl]methanamine is CC1Cc2ccccc2N(CC2(CN)CCCCC2)C1.
What is the InChIKey of [1-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexyl]methanamine?
The InChIKey is JWVHKPNTPLTCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-15-11-16-7-3-4-8-17(16)20(12-15)14-18(13-19)9-5-2-6-10-18/h3-4,7-8,15H,2,5-6,9-14,19H2,1H3.
What are the key properties of [1-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexyl]methanamine?
[1-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexyl]methanamine has a molecular weight of 272.44 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 63495649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).