3-ethyl-1-quinolin-7-ylcyclohexan-1-amine

C17H22N2 — CID 81216165

IUPAC3-ethyl-1-quinolin-7-ylcyclohexan-1-amine
SMILESCCC1CCCC(N)(c2ccc3cccnc3c2)C1
InChIInChI=1S/C17H22N2/c1-2-13-5-3-9-17(18,12-13)15-8-7-14-6-4-10-19-16(14)11-15/h4,6-8,10-11,13H,2-3,5,9,12,18H2,1H3
InChIKeyWEWMRLXVQOIIIL-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.99
Rot. Bonds2

About 3-ethyl-1-quinolin-7-ylcyclohexan-1-amine

3-ethyl-1-quinolin-7-ylcyclohexan-1-amine (PubChem CID 81216165) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-ethyl-1-quinolin-7-ylcyclohexan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-quinolin-7-ylcyclohexan-1-amine
PubChem CID81216165
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name3-ethyl-1-quinolin-7-ylcyclohexan-1-amine
SMILESCCC1CCCC(N)(c2ccc3cccnc3c2)C1
InChIInChI=1S/C17H22N2/c1-2-13-5-3-9-17(18,12-13)15-8-7-14-6-4-10-19-16(14)11-15/h4,6-8,10-11,13H,2-3,5,9,12,18H2,1H3
InChIKeyWEWMRLXVQOIIIL-UHFFFAOYSA-N
XLogP3.99
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-quinolin-7-ylcyclohexan-1-amine?
The IUPAC name of 3-ethyl-1-quinolin-7-ylcyclohexan-1-amine (CID 81216165) is 3-ethyl-1-quinolin-7-ylcyclohexan-1-amine.
What is the SMILES notation for 3-ethyl-1-quinolin-7-ylcyclohexan-1-amine?
The canonical SMILES for 3-ethyl-1-quinolin-7-ylcyclohexan-1-amine is CCC1CCCC(N)(c2ccc3cccnc3c2)C1.
What is the InChIKey of 3-ethyl-1-quinolin-7-ylcyclohexan-1-amine?
The InChIKey is WEWMRLXVQOIIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-13-5-3-9-17(18,12-13)15-8-7-14-6-4-10-19-16(14)11-15/h4,6-8,10-11,13H,2-3,5,9,12,18H2,1H3.
What are the key properties of 3-ethyl-1-quinolin-7-ylcyclohexan-1-amine?
3-ethyl-1-quinolin-7-ylcyclohexan-1-amine has a molecular weight of 254.38 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 3-ethyl-1-quinolin-7-ylcyclohexan-1-amine is sourced from PubChem (CID 81216165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).