2-amino-N-[(Z)-3-ethenylpent-3-enyl]-N-methylacetamide

C10H18N2O — CID 162387344

IUPAC2-amino-N-[(Z)-3-ethenylpent-3-enyl]-N-methylacetamide
SMILESC=C/C(=C\C)CCN(C)C(=O)CN
InChIInChI=1S/C10H18N2O/c1-4-9(5-2)6-7-12(3)10(13)8-11/h4-5H,1,6-8,11H2,2-3H3/b9-5+
InChIKeyNZILJVBKTZXVGR-WEVVVXLNSA-N
MW182.27 g/mol
LogP0.93
Rot. Bonds5

About 2-amino-N-[(Z)-3-ethenylpent-3-enyl]-N-methylacetamide

2-amino-N-[(Z)-3-ethenylpent-3-enyl]-N-methylacetamide (PubChem CID 162387344) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-amino-N-[(Z)-3-ethenylpent-3-enyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[(Z)-3-ethenylpent-3-enyl]-N-methylacetamide
PubChem CID162387344
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-amino-N-[(Z)-3-ethenylpent-3-enyl]-N-methylacetamide
SMILESC=C/C(=C\C)CCN(C)C(=O)CN
InChIInChI=1S/C10H18N2O/c1-4-9(5-2)6-7-12(3)10(13)8-11/h4-5H,1,6-8,11H2,2-3H3/b9-5+
InChIKeyNZILJVBKTZXVGR-WEVVVXLNSA-N
XLogP0.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.93
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

(E)-2-ethenylbut-2-en-1-amine
CID 142131613
3-ethylideneoct-1-ene
CID 91511297
ethane;ethene;(Z)-4-ethenylhex-4-enoic acid
CID 177225786
2-aminoacetic acid;ethane;(2Z,4Z)-5-ethenylocta-2,4-diene;methanol
CID 144536023
(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine
CID 143512259
2-amino-N-(2-amino-2-oxoethyl)-N-methylacetamide
CID 43374242
ethane;(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine
CID 143512258
N-(2-aminoacetyl)-N-ethylprop-2-enamide
CID 87561036
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(prop-2-enamide)
CID 87098923
2-[(2-aminoacetyl)-methylamino]acetic acid;hydrochloride
CID 87629075
N-methyl-N-pent-4-enylpropanamide
CID 115640317
(Z)-3-ethenyl-N-methyl-N-[(4-methylphenyl)sulfonylmethyl]pent-3-en-1-amine
CID 132584380

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(Z)-3-ethenylpent-3-enyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[(Z)-3-ethenylpent-3-enyl]-N-methylacetamide (CID 162387344) is 2-amino-N-[(Z)-3-ethenylpent-3-enyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[(Z)-3-ethenylpent-3-enyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[(Z)-3-ethenylpent-3-enyl]-N-methylacetamide is C=C/C(=C\C)CCN(C)C(=O)CN.
What is the InChIKey of 2-amino-N-[(Z)-3-ethenylpent-3-enyl]-N-methylacetamide?
The InChIKey is NZILJVBKTZXVGR-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-9(5-2)6-7-12(3)10(13)8-11/h4-5H,1,6-8,11H2,2-3H3/b9-5+.
What are the key properties of 2-amino-N-[(Z)-3-ethenylpent-3-enyl]-N-methylacetamide?
2-amino-N-[(Z)-3-ethenylpent-3-enyl]-N-methylacetamide has a molecular weight of 182.27 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(Z)-3-ethenylpent-3-enyl]-N-methylacetamide is sourced from PubChem (CID 162387344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).