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

C15H27NO — CID 143456441

IUPACethane;2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]cyclohexan-1-ol
SMILESC=C/C=C(\C=C)CNC1CCCCC1O.CC
InChIInChI=1S/C13H21NO.C2H6/c1-3-7-11(4-2)10-14-12-8-5-6-9-13(12)15;1-2/h3-4,7,12-15H,1-2,5-6,8-10H2;1-2H3/b11-7+;
InChIKeyQHMLWVWBNWDNPD-RVDQCCQOSA-N
MW237.39 g/mol
LogP3.20
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 143456441) has the molecular formula C15H27NO and a molecular weight of 237.39 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 CID143456441
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Nameethane;2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]cyclohexan-1-ol
SMILESC=C/C=C(\C=C)CNC1CCCCC1O.CC
InChIInChI=1S/C13H21NO.C2H6/c1-3-7-11(4-2)10-14-12-8-5-6-9-13(12)15;1-2/h3-4,7,12-15H,1-2,5-6,8-10H2;1-2H3/b11-7+;
InChIKeyQHMLWVWBNWDNPD-RVDQCCQOSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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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
2-(2-Ethenylpenta-2,4-dienylamino)cyclohexan-1-ol
CID 123427462
1-(ethylamino)-2,3,4,5-tetrahydro-1H-inden-2-ol
CID 123990062
(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 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

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 143456441) 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.
What is the InChIKey of ethane;2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]cyclohexan-1-ol?
The InChIKey is QHMLWVWBNWDNPD-RVDQCCQOSA-N. The full InChI is InChI=1S/C13H21NO.C2H6/c1-3-7-11(4-2)10-14-12-8-5-6-9-13(12)15;1-2/h3-4,7,12-15H,1-2,5-6,8-10H2;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 237.39 g/mol, XLogP of 3.20, 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 143456441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).