3-(dimethylamino)-N-[(2E,4Z)-hepta-2,4-dien-2-yl]propanamide

C12H22N2O — CID 169113017

IUPAC3-(dimethylamino)-N-[(2E,4Z)-hepta-2,4-dien-2-yl]propanamide
SMILESCC/C=C\C=C(/C)NC(=O)CCN(C)C
InChIInChI=1S/C12H22N2O/c1-5-6-7-8-11(2)13-12(15)9-10-14(3)4/h6-8H,5,9-10H2,1-4H3,(H,13,15)/b7-6-,11-8+
InChIKeyNXRAKWAAHKQXAQ-BQGCWICQSA-N
MW210.32 g/mol
LogP1.92
Rot. Bonds6

About 3-(dimethylamino)-N-[(2E,4Z)-hepta-2,4-dien-2-yl]propanamide

3-(dimethylamino)-N-[(2E,4Z)-hepta-2,4-dien-2-yl]propanamide (PubChem CID 169113017) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(2E,4Z)-hepta-2,4-dien-2-yl]propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(2E,4Z)-hepta-2,4-dien-2-yl]propanamide
PubChem CID169113017
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-(dimethylamino)-N-[(2E,4Z)-hepta-2,4-dien-2-yl]propanamide
SMILESCC/C=C\C=C(/C)NC(=O)CCN(C)C
InChIInChI=1S/C12H22N2O/c1-5-6-7-8-11(2)13-12(15)9-10-14(3)4/h6-8H,5,9-10H2,1-4H3,(H,13,15)/b7-6-,11-8+
InChIKeyNXRAKWAAHKQXAQ-BQGCWICQSA-N
XLogP1.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propanoyl]octadecanamide
CID 88681823
(2E,4Z)-N-ethylhepta-2,4-dien-2-amine
CID 166776251
N-[(2Z)-penta-2,4-dien-2-yl]pentanamide
CID 134525821
(4E,6Z)-N-[3-[2-[ethyl(methyl)amino]ethyl-methylamino]propyl]-4-methylnona-4,6-dienamide
CID 176667535
3-(dimethylamino)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 79039842
N-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]propanamide
CID 143108414
3-(dimethylamino)-N-ethoxypropanamide
CID 78920148
(2E,4E)-2-methylhepta-2,4-dien-1-ol
CID 173250100
(2E,4Z)-2-methylhepta-2,4-dienamide
CID 143129883
3-[methyl((113C)methyl)amino]propanoic acid;hydrochloride
CID 172746252
3-(dimethylamino)-N-(3-oxopropyl)propanamide
CID 142174059
4-oxo-4-[[(2E)-penta-2,4-dien-2-yl]amino]butanoic acid
CID 166824221

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(2E,4Z)-hepta-2,4-dien-2-yl]propanamide?
The IUPAC name of 3-(dimethylamino)-N-[(2E,4Z)-hepta-2,4-dien-2-yl]propanamide (CID 169113017) is 3-(dimethylamino)-N-[(2E,4Z)-hepta-2,4-dien-2-yl]propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(2E,4Z)-hepta-2,4-dien-2-yl]propanamide?
The canonical SMILES for 3-(dimethylamino)-N-[(2E,4Z)-hepta-2,4-dien-2-yl]propanamide is CC/C=C\C=C(/C)NC(=O)CCN(C)C.
What is the InChIKey of 3-(dimethylamino)-N-[(2E,4Z)-hepta-2,4-dien-2-yl]propanamide?
The InChIKey is NXRAKWAAHKQXAQ-BQGCWICQSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-6-7-8-11(2)13-12(15)9-10-14(3)4/h6-8H,5,9-10H2,1-4H3,(H,13,15)/b7-6-,11-8+.
What are the key properties of 3-(dimethylamino)-N-[(2E,4Z)-hepta-2,4-dien-2-yl]propanamide?
3-(dimethylamino)-N-[(2E,4Z)-hepta-2,4-dien-2-yl]propanamide has a molecular weight of 210.32 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(2E,4Z)-hepta-2,4-dien-2-yl]propanamide is sourced from PubChem (CID 169113017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).