1-(3,4-dimethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine

C17H26N2 — CID 64739984

IUPAC1-(3,4-dimethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine
SMILESCC1CCC(N2CCCc3ccc(N)cc32)CC1C
InChIInChI=1S/C17H26N2/c1-12-5-8-16(10-13(12)2)19-9-3-4-14-6-7-15(18)11-17(14)19/h6-7,11-13,16H,3-5,8-10,18H2,1-2H3
InChIKeyVWAMUNWXODUGRI-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.85
Rot. Bonds1

About 1-(3,4-dimethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine

1-(3,4-dimethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine (PubChem CID 64739984) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine
PubChem CID64739984
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-(3,4-dimethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine
SMILESCC1CCC(N2CCCc3ccc(N)cc32)CC1C
InChIInChI=1S/C17H26N2/c1-12-5-8-16(10-13(12)2)19-9-3-4-14-6-7-15(18)11-17(14)19/h6-7,11-13,16H,3-5,8-10,18H2,1-2H3
InChIKeyVWAMUNWXODUGRI-UHFFFAOYSA-N
XLogP3.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine (CID 64739984) is 1-(3,4-dimethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine is CC1CCC(N2CCCc3ccc(N)cc32)CC1C.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine?
The InChIKey is VWAMUNWXODUGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-12-5-8-16(10-13(12)2)19-9-3-4-14-6-7-15(18)11-17(14)19/h6-7,11-13,16H,3-5,8-10,18H2,1-2H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine?
1-(3,4-dimethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine has a molecular weight of 258.41 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine is sourced from PubChem (CID 64739984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).