ethane;ethanol;(2E,4E,5Z)-4-ethylidene-N,2-dimethylhepta-2,5-dien-1-amine

C15H31NO — CID 142918885

IUPACethane;ethanol;(2E,4E,5Z)-4-ethylidene-N,2-dimethylhepta-2,5-dien-1-amine
SMILESC/C=C\C(=C/C)\C=C(/C)CNC.CC.CCO
InChIInChI=1S/C11H19N.C2H6O.C2H6/c1-5-7-11(6-2)8-10(3)9-12-4;1-2-3;1-2/h5-8,12H,9H2,1-4H3;3H,2H2,1H3;1-2H3/b7-5-,10-8+,11-6+;;
InChIKeyCBCKLVJFZJPYNO-JDOWHBQHSA-N
MW241.42 g/mol
LogP3.70
Rot. Bonds4

About ethane;ethanol;(2E,4E,5Z)-4-ethylidene-N,2-dimethylhepta-2,5-dien-1-amine

ethane;ethanol;(2E,4E,5Z)-4-ethylidene-N,2-dimethylhepta-2,5-dien-1-amine (PubChem CID 142918885) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is ethane;ethanol;(2E,4E,5Z)-4-ethylidene-N,2-dimethylhepta-2,5-dien-1-amine.

Molecular Properties

Compound Nameethane;ethanol;(2E,4E,5Z)-4-ethylidene-N,2-dimethylhepta-2,5-dien-1-amine
PubChem CID142918885
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Nameethane;ethanol;(2E,4E,5Z)-4-ethylidene-N,2-dimethylhepta-2,5-dien-1-amine
SMILESC/C=C\C(=C/C)\C=C(/C)CNC.CC.CCO
InChIInChI=1S/C11H19N.C2H6O.C2H6/c1-5-7-11(6-2)8-10(3)9-12-4;1-2-3;1-2/h5-8,12H,9H2,1-4H3;3H,2H2,1H3;1-2H3/b7-5-,10-8+,11-6+;;
InChIKeyCBCKLVJFZJPYNO-JDOWHBQHSA-N
XLogP3.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.70
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

[[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol
CID 144509395
2-[(3-Methylcyclohexa-1,5-dien-1-yl)methylamino]ethanol
CID 68176813
2-[[(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]amino]ethanol
CID 88544382
2-[[(1Z,3Z,5Z)-2-methylhepta-1,3,5-trienyl]amino]ethanol
CID 88881134
2-[[(Z)-2-methylidenepent-3-enyl]amino]ethanol
CID 89861478
2-[[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]amino]ethanol
CID 90130168
(1E,3Z)-4-[2-(methylamino)ethyl]hexa-1,3,5-trien-1-ol
CID 90444788
3-(Cyclohexa-1,5-dien-1-ylmethylamino)propan-1-ol
CID 91280225
1-[(1,4-Dimethylcyclohepta-2,4,6-trien-1-yl)amino]ethanol
CID 91503472
(Z)-2-methylidene-1-(propylamino)pent-3-en-1-ol
CID 117796391
(Z)-1-(ethylamino)-2-methylidenehex-3-en-1-ol
CID 121464012
2-[[4-Methyl-2-(2-methylprop-1-enyl)penta-2,4-dienyl]amino]ethanol
CID 123519994

Frequently Asked Questions

What is the IUPAC name of ethane;ethanol;(2E,4E,5Z)-4-ethylidene-N,2-dimethylhepta-2,5-dien-1-amine?
The IUPAC name of ethane;ethanol;(2E,4E,5Z)-4-ethylidene-N,2-dimethylhepta-2,5-dien-1-amine (CID 142918885) is ethane;ethanol;(2E,4E,5Z)-4-ethylidene-N,2-dimethylhepta-2,5-dien-1-amine.
What is the SMILES notation for ethane;ethanol;(2E,4E,5Z)-4-ethylidene-N,2-dimethylhepta-2,5-dien-1-amine?
The canonical SMILES for ethane;ethanol;(2E,4E,5Z)-4-ethylidene-N,2-dimethylhepta-2,5-dien-1-amine is C/C=C\C(=C/C)\C=C(/C)CNC.CC.CCO.
What is the InChIKey of ethane;ethanol;(2E,4E,5Z)-4-ethylidene-N,2-dimethylhepta-2,5-dien-1-amine?
The InChIKey is CBCKLVJFZJPYNO-JDOWHBQHSA-N. The full InChI is InChI=1S/C11H19N.C2H6O.C2H6/c1-5-7-11(6-2)8-10(3)9-12-4;1-2-3;1-2/h5-8,12H,9H2,1-4H3;3H,2H2,1H3;1-2H3/b7-5-,10-8+,11-6+;;.
What are the key properties of ethane;ethanol;(2E,4E,5Z)-4-ethylidene-N,2-dimethylhepta-2,5-dien-1-amine?
ethane;ethanol;(2E,4E,5Z)-4-ethylidene-N,2-dimethylhepta-2,5-dien-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethanol;(2E,4E,5Z)-4-ethylidene-N,2-dimethylhepta-2,5-dien-1-amine is sourced from PubChem (CID 142918885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).