2-(4-aminocyclohex-2-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol

C15H26N2O — CID 118642430

IUPAC2-(4-aminocyclohex-2-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol
SMILESNC1C=CC(C2CCC3CC(O)CCC3N2)CC1
InChIInChI=1S/C15H26N2O/c16-12-4-1-10(2-5-12)14-7-3-11-9-13(18)6-8-15(11)17-14/h1,4,10-15,17-18H,2-3,5-9,16H2
InChIKeyJCJOGPSNAQULSV-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.56
Rot. Bonds1

About 2-(4-aminocyclohex-2-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol

2-(4-aminocyclohex-2-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol (PubChem CID 118642430) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(4-aminocyclohex-2-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol.

Molecular Properties

Compound Name2-(4-aminocyclohex-2-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol
PubChem CID118642430
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-(4-aminocyclohex-2-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol
SMILESNC1C=CC(C2CCC3CC(O)CCC3N2)CC1
InChIInChI=1S/C15H26N2O/c16-12-4-1-10(2-5-12)14-7-3-11-9-13(18)6-8-15(11)17-14/h1,4,10-15,17-18H,2-3,5-9,16H2
InChIKeyJCJOGPSNAQULSV-UHFFFAOYSA-N
XLogP1.56
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-(4-aminocyclohex-2-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol?
The IUPAC name of 2-(4-aminocyclohex-2-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol (CID 118642430) is 2-(4-aminocyclohex-2-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol.
What is the SMILES notation for 2-(4-aminocyclohex-2-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol?
The canonical SMILES for 2-(4-aminocyclohex-2-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol is NC1C=CC(C2CCC3CC(O)CCC3N2)CC1.
What is the InChIKey of 2-(4-aminocyclohex-2-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol?
The InChIKey is JCJOGPSNAQULSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c16-12-4-1-10(2-5-12)14-7-3-11-9-13(18)6-8-15(11)17-14/h1,4,10-15,17-18H,2-3,5-9,16H2.
What are the key properties of 2-(4-aminocyclohex-2-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol?
2-(4-aminocyclohex-2-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol has a molecular weight of 250.39 g/mol, XLogP of 1.56, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohex-2-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol is sourced from PubChem (CID 118642430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).