2-(2-ethenylpenta-2,4-dienylamino)cyclohexan-1-ol

C13H21NO — CID 123427462

IUPAC2-(2-ethenylpenta-2,4-dienylamino)cyclohexan-1-ol
SMILESC=CC=C(C=C)CNC1CCCCC1O
InChIInChI=1S/C13H21NO/c1-3-7-11(4-2)10-14-12-8-5-6-9-13(12)15/h3-4,7,12-15H,1-2,5-6,8-10H2
InChIKeyXMLJYHVLZPYWNP-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.18
Rot. Bonds5

About 2-(2-ethenylpenta-2,4-dienylamino)cyclohexan-1-ol

2-(2-ethenylpenta-2,4-dienylamino)cyclohexan-1-ol (PubChem CID 123427462) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(2-ethenylpenta-2,4-dienylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(2-ethenylpenta-2,4-dienylamino)cyclohexan-1-ol
PubChem CID123427462
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(2-ethenylpenta-2,4-dienylamino)cyclohexan-1-ol
SMILESC=CC=C(C=C)CNC1CCCCC1O
InChIInChI=1S/C13H21NO/c1-3-7-11(4-2)10-14-12-8-5-6-9-13(12)15/h3-4,7,12-15H,1-2,5-6,8-10H2
InChIKeyXMLJYHVLZPYWNP-UHFFFAOYSA-N
XLogP2.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Allylamino)cyclohexanol
CID 12642244
(1R,2R)-2-(Allylamino)cyclohexanol
CID 28307729
(1S,2S)-2-[(prop-2-en-1-yl)amino]cyclohexan-1-ol
CID 28660506
cis-(1S,2S,3Z)-2-(2-aminoethylamino)-3-[(Z)-2-methylpent-2-enylidene]cyclohexan-1-ol
CID 89271919
(1R,3E)-3-ethylidene-2-(methylamino)-4-prop-1-enylidenecyclohexan-1-ol
CID 141824510
[(5E)-4-methylidene-5-prop-2-enylidenepiperidin-2-yl]methanol
CID 142617326
ethane;2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]cyclohexan-1-ol
CID 143456441
ethane;2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]cyclohexan-1-ol
CID 144721093
2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol;(3Z)-penta-1,3-diene
CID 166169517
(4Z)-2-(propan-2-ylamino)-4-prop-1-en-2-ylhepta-4,6-dien-1-ol
CID 177955081
4-Cyclohexa-1,5-dien-1-yl-2-(propan-2-ylamino)butan-1-ol
CID 177955143
cis-(1S,2R)-2-(prop-2-enylamino)cyclohexan-1-ol
CID 28660510

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenylpenta-2,4-dienylamino)cyclohexan-1-ol?
The IUPAC name of 2-(2-ethenylpenta-2,4-dienylamino)cyclohexan-1-ol (CID 123427462) is 2-(2-ethenylpenta-2,4-dienylamino)cyclohexan-1-ol.
What is the SMILES notation for 2-(2-ethenylpenta-2,4-dienylamino)cyclohexan-1-ol?
The canonical SMILES for 2-(2-ethenylpenta-2,4-dienylamino)cyclohexan-1-ol is C=CC=C(C=C)CNC1CCCCC1O.
What is the InChIKey of 2-(2-ethenylpenta-2,4-dienylamino)cyclohexan-1-ol?
The InChIKey is XMLJYHVLZPYWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-7-11(4-2)10-14-12-8-5-6-9-13(12)15/h3-4,7,12-15H,1-2,5-6,8-10H2.
What are the key properties of 2-(2-ethenylpenta-2,4-dienylamino)cyclohexan-1-ol?
2-(2-ethenylpenta-2,4-dienylamino)cyclohexan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenylpenta-2,4-dienylamino)cyclohexan-1-ol is sourced from PubChem (CID 123427462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).