ethanol;(2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine

C11H21NO — CID 143457518

IUPACethanol;(2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
SMILESC=C/C=C(\C=C/C)CNC.CCO
InChIInChI=1S/C9H15N.C2H6O/c1-4-6-9(7-5-2)8-10-3;1-2-3/h4-7,10H,1,8H2,2-3H3;3H,2H2,1H3/b7-5-,9-6+;
InChIKeyXJQFMMJYWDYNHI-UKRQJTKBSA-N
MW183.29 g/mol
LogP1.89
Rot. Bonds4

About ethanol;(2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine

ethanol;(2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine (PubChem CID 143457518) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is ethanol;(2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine.

Molecular Properties

Compound Nameethanol;(2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
PubChem CID143457518
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Nameethanol;(2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
SMILESC=C/C=C(\C=C/C)CNC.CCO
InChIInChI=1S/C9H15N.C2H6O/c1-4-6-9(7-5-2)8-10-3;1-2-3/h4-7,10H,1,8H2,2-3H3;3H,2H2,1H3/b7-5-,9-6+;
InChIKeyXJQFMMJYWDYNHI-UKRQJTKBSA-N
XLogP1.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.89
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 ethanol;(2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine?
The IUPAC name of ethanol;(2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine (CID 143457518) is ethanol;(2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine.
What is the SMILES notation for ethanol;(2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine?
The canonical SMILES for ethanol;(2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine is C=C/C=C(\C=C/C)CNC.CCO.
What is the InChIKey of ethanol;(2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine?
The InChIKey is XJQFMMJYWDYNHI-UKRQJTKBSA-N. The full InChI is InChI=1S/C9H15N.C2H6O/c1-4-6-9(7-5-2)8-10-3;1-2-3/h4-7,10H,1,8H2,2-3H3;3H,2H2,1H3/b7-5-,9-6+;.
What are the key properties of ethanol;(2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine?
ethanol;(2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine has a molecular weight of 183.29 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;(2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine is sourced from PubChem (CID 143457518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).