1-(cyclohexen-1-yl)-3-quinolin-2-ylpropan-2-amine

C18H22N2 — CID 116661388

IUPAC1-(cyclohexen-1-yl)-3-quinolin-2-ylpropan-2-amine
SMILESNC(CC1=CCCCC1)Cc1ccc2ccccc2n1
InChIInChI=1S/C18H22N2/c19-16(12-14-6-2-1-3-7-14)13-17-11-10-15-8-4-5-9-18(15)20-17/h4-6,8-11,16H,1-3,7,12-13,19H2
InChIKeyZGWZLCKIYHRDNT-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.00
Rot. Bonds4

About 1-(cyclohexen-1-yl)-3-quinolin-2-ylpropan-2-amine

1-(cyclohexen-1-yl)-3-quinolin-2-ylpropan-2-amine (PubChem CID 116661388) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-quinolin-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-quinolin-2-ylpropan-2-amine
PubChem CID116661388
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1-(cyclohexen-1-yl)-3-quinolin-2-ylpropan-2-amine
SMILESNC(CC1=CCCCC1)Cc1ccc2ccccc2n1
InChIInChI=1S/C18H22N2/c19-16(12-14-6-2-1-3-7-14)13-17-11-10-15-8-4-5-9-18(15)20-17/h4-6,8-11,16H,1-3,7,12-13,19H2
InChIKeyZGWZLCKIYHRDNT-UHFFFAOYSA-N
XLogP4.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-quinolin-2-ylpropan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-3-quinolin-2-ylpropan-2-amine (CID 116661388) is 1-(cyclohexen-1-yl)-3-quinolin-2-ylpropan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-quinolin-2-ylpropan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-quinolin-2-ylpropan-2-amine is NC(CC1=CCCCC1)Cc1ccc2ccccc2n1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-quinolin-2-ylpropan-2-amine?
The InChIKey is ZGWZLCKIYHRDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c19-16(12-14-6-2-1-3-7-14)13-17-11-10-15-8-4-5-9-18(15)20-17/h4-6,8-11,16H,1-3,7,12-13,19H2.
What are the key properties of 1-(cyclohexen-1-yl)-3-quinolin-2-ylpropan-2-amine?
1-(cyclohexen-1-yl)-3-quinolin-2-ylpropan-2-amine has a molecular weight of 266.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-quinolin-2-ylpropan-2-amine is sourced from PubChem (CID 116661388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).