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

C17H26N2 — CID 55251571

IUPAC1-(2-ethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine
SMILESCCC1CCCCC1N1CCCc2ccc(N)cc21
InChIInChI=1S/C17H26N2/c1-2-13-6-3-4-8-16(13)19-11-5-7-14-9-10-15(18)12-17(14)19/h9-10,12-13,16H,2-8,11,18H2,1H3
InChIKeyNEZZCYMONHMGHS-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.99
Rot. Bonds2

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

1-(2-ethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine (PubChem CID 55251571) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine
PubChem CID55251571
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-(2-ethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine
SMILESCCC1CCCCC1N1CCCc2ccc(N)cc21
InChIInChI=1S/C17H26N2/c1-2-13-6-3-4-8-16(13)19-11-5-7-14-9-10-15(18)12-17(14)19/h9-10,12-13,16H,2-8,11,18H2,1H3
InChIKeyNEZZCYMONHMGHS-UHFFFAOYSA-N
XLogP3.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.99
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-(2-ethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine?
The IUPAC name of 1-(2-ethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine (CID 55251571) is 1-(2-ethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine?
The canonical SMILES for 1-(2-ethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine is CCC1CCCCC1N1CCCc2ccc(N)cc21.
What is the InChIKey of 1-(2-ethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine?
The InChIKey is NEZZCYMONHMGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-13-6-3-4-8-16(13)19-11-5-7-14-9-10-15(18)12-17(14)19/h9-10,12-13,16H,2-8,11,18H2,1H3.
What are the key properties of 1-(2-ethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine?
1-(2-ethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine has a molecular weight of 258.41 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine is sourced from PubChem (CID 55251571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).