2-[[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]amino]propan-1-ol

C12H21NO — CID 143177152

IUPAC2-[[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]amino]propan-1-ol
SMILESC/C=C\C=C(/C=C\C)CNC(C)CO
InChIInChI=1S/C12H21NO/c1-4-6-8-12(7-5-2)9-13-11(3)10-14/h4-8,11,13-14H,9-10H2,1-3H3/b6-4-,7-5-,12-8+
InChIKeyCECTXWCYHGNANI-ACHQONLYSA-N
MW195.31 g/mol
LogP2.04
Rot. Bonds6

About 2-[[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]amino]propan-1-ol

2-[[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]amino]propan-1-ol (PubChem CID 143177152) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-[[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]amino]propan-1-ol
PubChem CID143177152
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-[[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]amino]propan-1-ol
SMILESC/C=C\C=C(/C=C\C)CNC(C)CO
InChIInChI=1S/C12H21NO/c1-4-6-8-12(7-5-2)9-13-11(3)10-14/h4-8,11,13-14H,9-10H2,1-3H3/b6-4-,7-5-,12-8+
InChIKeyCECTXWCYHGNANI-ACHQONLYSA-N
XLogP2.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]amino]propan-1-ol with MolForge

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Related Compounds

(Z,3E)-3-[(Z)-but-2-enylidene]-N-phosphanyl-N'-propan-2-ylbut-1-ene-1,4-diamine
CID 129032149
N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]prop-2-enamide
CID 145160973
(2S)-2-(3-methylbut-2-enylamino)propan-1-ol
CID 55300374
2-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol
CID 106437749
ethane;N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine
CID 144617318
2-[[(2E,4Z)-2-ethenylhexa-2,4-dienyl]amino]-4-nitrosobutan-1-ol
CID 169259650
3-methyl-N-propylhepta-3,5-dien-2-amine
CID 123356687
(2E,4E,7R)-2-[(E)-prop-1-enyl]octa-2,4-diene-1,7-diol
CID 156581219
[[(2R,4Z,5Z,8Z,10Z)-4-ethylidene-7-methyldodeca-5,8,10-trien-2-yl]amino]methanol
CID 171843553
(2E,4E)-2-ethenyl-N-(1-phenylethyl)hexa-2,4-dien-1-amine
CID 21102554
N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-3,5-dienyl]ethanimine
CID 170235375
(4Z,6E)-2-methyl-4-propylocta-2,4,6-triene
CID 142379539

Frequently Asked Questions

What is the IUPAC name of 2-[[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]amino]propan-1-ol?
The IUPAC name of 2-[[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]amino]propan-1-ol (CID 143177152) is 2-[[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]amino]propan-1-ol.
What is the SMILES notation for 2-[[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]amino]propan-1-ol?
The canonical SMILES for 2-[[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]amino]propan-1-ol is C/C=C\C=C(/C=C\C)CNC(C)CO.
What is the InChIKey of 2-[[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]amino]propan-1-ol?
The InChIKey is CECTXWCYHGNANI-ACHQONLYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-6-8-12(7-5-2)9-13-11(3)10-14/h4-8,11,13-14H,9-10H2,1-3H3/b6-4-,7-5-,12-8+.
What are the key properties of 2-[[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]amino]propan-1-ol?
2-[[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]amino]propan-1-ol has a molecular weight of 195.31 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]amino]propan-1-ol is sourced from PubChem (CID 143177152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).