N-ethyl-N-[(2E)-penta-2,4-dien-2-yl]butanamide;prop-2-en-1-amine

C14H26N2O — CID 142946544

IUPACN-ethyl-N-[(2E)-penta-2,4-dien-2-yl]butanamide;prop-2-en-1-amine
SMILESC=C/C=C(\C)N(CC)C(=O)CCC.C=CCN
InChIInChI=1S/C11H19NO.C3H7N/c1-5-8-10(4)12(7-3)11(13)9-6-2;1-2-3-4/h5,8H,1,6-7,9H2,2-4H3;2H,1,3-4H2/b10-8+;
InChIKeyINXNOPQNNOSTRO-VRTOBVRTSA-N
MW238.37 g/mol
LogP2.86
Rot. Bonds6

About N-ethyl-N-[(2E)-penta-2,4-dien-2-yl]butanamide;prop-2-en-1-amine

N-ethyl-N-[(2E)-penta-2,4-dien-2-yl]butanamide;prop-2-en-1-amine (PubChem CID 142946544) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-ethyl-N-[(2E)-penta-2,4-dien-2-yl]butanamide;prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[(2E)-penta-2,4-dien-2-yl]butanamide;prop-2-en-1-amine
PubChem CID142946544
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-ethyl-N-[(2E)-penta-2,4-dien-2-yl]butanamide;prop-2-en-1-amine
SMILESC=C/C=C(\C)N(CC)C(=O)CCC.C=CCN
InChIInChI=1S/C11H19NO.C3H7N/c1-5-8-10(4)12(7-3)11(13)9-6-2;1-2-3-4/h5,8H,1,6-7,9H2,2-4H3;2H,1,3-4H2/b10-8+;
InChIKeyINXNOPQNNOSTRO-VRTOBVRTSA-N
XLogP2.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3Z,5E)-5-amino-2-methylidenehepta-3,5-dienyl]butanamide
CID 88900993
1-[(2E,4E)-5-aminohepta-2,4,6-trien-2-yl]piperidin-2-one
CID 89039015
5-amino-N-[(2Z,4E)-4-[ethyl(prop-2-enyl)amino]hepta-2,4,6-trienyl]pentanamide
CID 89215079
(2S)-N-ethyl-2-(ethylamino)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]propanamide
CID 89347279
N-methyl-N-[2-(methylamino)prop-2-enyl]butanamide
CID 90398268
N-[3-[2-[2-aminoethyl(methyl)amino]ethyl-methylamino]prop-1-en-2-yl]-N-methylbutanamide
CID 117744137
N-ethyl-N-penta-2,4-dien-2-ylbutanamide
CID 123333115
N-hexa-1,3,5-trien-3-yl-N-methylbutanamide
CID 123952620
[4-[[(E)-but-2-enyl]amino]-4-oxobutyl]-trimethylazanium
CID 132081962
N-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-ethylacetamide
CID 134406541
N-[2-(methylamino)ethyl]-N-(6-methyl-1,2-dihydropyridin-3-yl)propanamide
CID 134406752
3-(ethylamino)-N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;molecular hydrogen
CID 142136374

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2E)-penta-2,4-dien-2-yl]butanamide;prop-2-en-1-amine?
The IUPAC name of N-ethyl-N-[(2E)-penta-2,4-dien-2-yl]butanamide;prop-2-en-1-amine (CID 142946544) is N-ethyl-N-[(2E)-penta-2,4-dien-2-yl]butanamide;prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-N-[(2E)-penta-2,4-dien-2-yl]butanamide;prop-2-en-1-amine?
The canonical SMILES for N-ethyl-N-[(2E)-penta-2,4-dien-2-yl]butanamide;prop-2-en-1-amine is C=C/C=C(\C)N(CC)C(=O)CCC.C=CCN.
What is the InChIKey of N-ethyl-N-[(2E)-penta-2,4-dien-2-yl]butanamide;prop-2-en-1-amine?
The InChIKey is INXNOPQNNOSTRO-VRTOBVRTSA-N. The full InChI is InChI=1S/C11H19NO.C3H7N/c1-5-8-10(4)12(7-3)11(13)9-6-2;1-2-3-4/h5,8H,1,6-7,9H2,2-4H3;2H,1,3-4H2/b10-8+;.
What are the key properties of N-ethyl-N-[(2E)-penta-2,4-dien-2-yl]butanamide;prop-2-en-1-amine?
N-ethyl-N-[(2E)-penta-2,4-dien-2-yl]butanamide;prop-2-en-1-amine has a molecular weight of 238.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2E)-penta-2,4-dien-2-yl]butanamide;prop-2-en-1-amine is sourced from PubChem (CID 142946544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).