1-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclohexan-1-amine

C18H28N2 — CID 62096877

IUPAC1-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclohexan-1-amine
SMILESCN1CCCc2cc(CNC3(C)CCCCC3)ccc21
InChIInChI=1S/C18H28N2/c1-18(10-4-3-5-11-18)19-14-15-8-9-17-16(13-15)7-6-12-20(17)2/h8-9,13,19H,3-7,10-12,14H2,1-2H3
InChIKeyWUMMXVLCQTURTQ-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.88
Rot. Bonds3

About 1-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclohexan-1-amine

1-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclohexan-1-amine (PubChem CID 62096877) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclohexan-1-amine
PubChem CID62096877
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclohexan-1-amine
SMILESCN1CCCc2cc(CNC3(C)CCCCC3)ccc21
InChIInChI=1S/C18H28N2/c1-18(10-4-3-5-11-18)19-14-15-8-9-17-16(13-15)7-6-12-20(17)2/h8-9,13,19H,3-7,10-12,14H2,1-2H3
InChIKeyWUMMXVLCQTURTQ-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclohexan-1-amine (CID 62096877) is 1-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclohexan-1-amine is CN1CCCc2cc(CNC3(C)CCCCC3)ccc21.
What is the InChIKey of 1-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclohexan-1-amine?
The InChIKey is WUMMXVLCQTURTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-18(10-4-3-5-11-18)19-14-15-8-9-17-16(13-15)7-6-12-20(17)2/h8-9,13,19H,3-7,10-12,14H2,1-2H3.
What are the key properties of 1-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclohexan-1-amine?
1-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclohexan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 62096877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).