ethane;2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]cyclohexan-1-ol

C17H33NO — CID 144721093

IUPACethane;2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]cyclohexan-1-ol
SMILESC=C/C=C(\C=C)CNC1CCCCC1O.CC.CC
InChIInChI=1S/C13H21NO.2C2H6/c1-3-7-11(4-2)10-14-12-8-5-6-9-13(12)15;2*1-2/h3-4,7,12-15H,1-2,5-6,8-10H2;2*1-2H3/b11-7+;;
InChIKeyKHAUKXWLIKRMNE-FCVAESPPSA-N
MW267.46 g/mol
LogP4.23
Rot. Bonds5

About ethane;2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]cyclohexan-1-ol

ethane;2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]cyclohexan-1-ol (PubChem CID 144721093) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is ethane;2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Nameethane;2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]cyclohexan-1-ol
PubChem CID144721093
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Nameethane;2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]cyclohexan-1-ol
SMILESC=C/C=C(\C=C)CNC1CCCCC1O.CC.CC
InChIInChI=1S/C13H21NO.2C2H6/c1-3-7-11(4-2)10-14-12-8-5-6-9-13(12)15;2*1-2/h3-4,7,12-15H,1-2,5-6,8-10H2;2*1-2H3/b11-7+;;
InChIKeyKHAUKXWLIKRMNE-FCVAESPPSA-N
XLogP4.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.23
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

cis-(1S,2S,3Z)-2-(hexylamino)-3-tetradecylidenecyclohexan-1-ol
CID 24798788
cis-(1S,2S,3Z)-3-decylidene-2-(hexylamino)cyclohexan-1-ol
CID 24936307
cis-(1S,2S,3Z)-2-(2-aminoethylamino)-3-[(Z)-2-methylpent-2-enylidene]cyclohexan-1-ol
CID 89271919
2-(2-Ethenylpenta-2,4-dienylamino)cyclohexan-1-ol
CID 123427462
(1R,3E)-3-ethylidene-2-(methylamino)-4-prop-1-enylidenecyclohexan-1-ol
CID 141824510
1-[[(1E,4Z)-cycloocta-1,4,6,7-tetraen-1-yl]methylamino]heptan-2-ol
CID 142552134
ethane;2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]cyclohexan-1-ol
CID 143456441
2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol;(3Z)-penta-1,3-diene
CID 166169517
4-Cyclohexa-1,5-dien-1-yl-2-(propan-2-ylamino)butan-1-ol
CID 177955143
cis-(1S,2S,3Z)-2-(propylamino)-3-tetradecylidenecyclohexan-1-ol
CID 24936308
cis-(1S,2S,3Z)-2-(butylamino)-3-tetradecylidenecyclohexan-1-ol
CID 24936309
cis-(1S,2S,3Z)-2-(decylamino)-3-tetradecylidenecyclohexan-1-ol
CID 24936440

Frequently Asked Questions

What is the IUPAC name of ethane;2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]cyclohexan-1-ol?
The IUPAC name of ethane;2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]cyclohexan-1-ol (CID 144721093) is ethane;2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]cyclohexan-1-ol.
What is the SMILES notation for ethane;2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]cyclohexan-1-ol?
The canonical SMILES for ethane;2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]cyclohexan-1-ol is C=C/C=C(\C=C)CNC1CCCCC1O.CC.CC.
What is the InChIKey of ethane;2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]cyclohexan-1-ol?
The InChIKey is KHAUKXWLIKRMNE-FCVAESPPSA-N. The full InChI is InChI=1S/C13H21NO.2C2H6/c1-3-7-11(4-2)10-14-12-8-5-6-9-13(12)15;2*1-2/h3-4,7,12-15H,1-2,5-6,8-10H2;2*1-2H3/b11-7+;;.
What are the key properties of ethane;2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]cyclohexan-1-ol?
ethane;2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]cyclohexan-1-ol has a molecular weight of 267.46 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 144721093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).