N-[(2E)-2-ethenylpenta-2,4-dienyl]cyclohexanamine;methanol

C14H25NO — CID 143560853

IUPACN-[(2E)-2-ethenylpenta-2,4-dienyl]cyclohexanamine;methanol
SMILESC=C/C=C(\C=C)CNC1CCCCC1.CO
InChIInChI=1S/C13H21N.CH4O/c1-3-8-12(4-2)11-14-13-9-6-5-7-10-13;1-2/h3-4,8,13-14H,1-2,5-7,9-11H2;2H,1H3/b12-8+;
InChIKeySICXSEQCEZZUTL-MXZHIVQLSA-N
MW223.36 g/mol
LogP2.82
Rot. Bonds5

About N-[(2E)-2-ethenylpenta-2,4-dienyl]cyclohexanamine;methanol

N-[(2E)-2-ethenylpenta-2,4-dienyl]cyclohexanamine;methanol (PubChem CID 143560853) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[(2E)-2-ethenylpenta-2,4-dienyl]cyclohexanamine;methanol.

Molecular Properties

Compound NameN-[(2E)-2-ethenylpenta-2,4-dienyl]cyclohexanamine;methanol
PubChem CID143560853
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[(2E)-2-ethenylpenta-2,4-dienyl]cyclohexanamine;methanol
SMILESC=C/C=C(\C=C)CNC1CCCCC1.CO
InChIInChI=1S/C13H21N.CH4O/c1-3-8-12(4-2)11-14-13-9-6-5-7-10-13;1-2/h3-4,8,13-14H,1-2,5-7,9-11H2;2H,1H3/b12-8+;
InChIKeySICXSEQCEZZUTL-MXZHIVQLSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.82
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

N-[(2E)-2-ethenylpenta-2,4-dienyl]cyclohexanamine
CID 132063363
N-[(Z,2E)-2-ethylidenepent-3-enyl]cyclohexanamine
CID 132063389
(2Z,4Z,6E)-3-[(cyclohexylamino)methyl]undeca-2,4,6-trien-2-ol
CID 142528972
2,3-bis(ethenyl)-N-methylcyclohex-2-en-1-amine;methanol
CID 162362152
2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol;(3Z)-penta-1,3-diene
CID 166169517
N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]cyclohexanamine
CID 170104283
N-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]cyclohexanamine
CID 170104744
2-[[(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenecyclohexyl]amino]ethanol
CID 143537795

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-ethenylpenta-2,4-dienyl]cyclohexanamine;methanol?
The IUPAC name of N-[(2E)-2-ethenylpenta-2,4-dienyl]cyclohexanamine;methanol (CID 143560853) is N-[(2E)-2-ethenylpenta-2,4-dienyl]cyclohexanamine;methanol.
What is the SMILES notation for N-[(2E)-2-ethenylpenta-2,4-dienyl]cyclohexanamine;methanol?
The canonical SMILES for N-[(2E)-2-ethenylpenta-2,4-dienyl]cyclohexanamine;methanol is C=C/C=C(\C=C)CNC1CCCCC1.CO.
What is the InChIKey of N-[(2E)-2-ethenylpenta-2,4-dienyl]cyclohexanamine;methanol?
The InChIKey is SICXSEQCEZZUTL-MXZHIVQLSA-N. The full InChI is InChI=1S/C13H21N.CH4O/c1-3-8-12(4-2)11-14-13-9-6-5-7-10-13;1-2/h3-4,8,13-14H,1-2,5-7,9-11H2;2H,1H3/b12-8+;.
What are the key properties of N-[(2E)-2-ethenylpenta-2,4-dienyl]cyclohexanamine;methanol?
N-[(2E)-2-ethenylpenta-2,4-dienyl]cyclohexanamine;methanol has a molecular weight of 223.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-ethenylpenta-2,4-dienyl]cyclohexanamine;methanol is sourced from PubChem (CID 143560853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).