N-[(Z)-3-amino-4-[ethyl(methyl)amino]but-3-enyl]acetamide

C9H19N3O — CID 142959970

IUPACN-[(Z)-3-amino-4-[ethyl(methyl)amino]but-3-enyl]acetamide
SMILESCCN(C)/C=C(\N)CCNC(C)=O
InChIInChI=1S/C9H19N3O/c1-4-12(3)7-9(10)5-6-11-8(2)13/h7H,4-6,10H2,1-3H3,(H,11,13)/b9-7-
InChIKeyBCKWBDBLLORYLE-CLFYSBASSA-N
MW185.27 g/mol
LogP0.26
Rot. Bonds5

About N-[(Z)-3-amino-4-[ethyl(methyl)amino]but-3-enyl]acetamide

N-[(Z)-3-amino-4-[ethyl(methyl)amino]but-3-enyl]acetamide (PubChem CID 142959970) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[(Z)-3-amino-4-[ethyl(methyl)amino]but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-3-amino-4-[ethyl(methyl)amino]but-3-enyl]acetamide
PubChem CID142959970
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN-[(Z)-3-amino-4-[ethyl(methyl)amino]but-3-enyl]acetamide
SMILESCCN(C)/C=C(\N)CCNC(C)=O
InChIInChI=1S/C9H19N3O/c1-4-12(3)7-9(10)5-6-11-8(2)13/h7H,4-6,10H2,1-3H3,(H,11,13)/b9-7-
InChIKeyBCKWBDBLLORYLE-CLFYSBASSA-N
XLogP0.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethenyl-N-[3-(methylamino)propyl]acetamide
CID 21517164
N-(1-ethyl-3,4-dihydro-2H-pyridin-5-yl)acetamide
CID 59131198
N-tert-butyl-N-ethyl-3-(prop-1-en-2-ylamino)propanamide
CID 88911258
N-[4-(prop-1-en-2-ylamino)butyl]acetamide
CID 88972536
N-[3-[methyl-[3-(prop-1-en-2-ylamino)propyl]amino]propyl]acetamide
CID 89105810
(Z)-3-[[(E)-but-2-en-2-yl]amino]-N-propylpent-3-enamide
CID 89224177
N-(1-but-1-en-2-ylpiperidin-4-yl)acetamide
CID 89357505
N-methyl-N-[3-(prop-1-en-2-ylamino)butyl]acetamide
CID 90245574
(Z)-N-[3-[ethyl(methyl)amino]propyl]-4-(methylideneamino)but-3-enamide
CID 90245678
N-[2-[[(Z)-2-aminobut-1-enyl]amino]ethyl]acetamide
CID 90382326
2-methyl-N-[3-[3-(3-methylbut-1-en-2-ylamino)propyl-[3-(2-methylpropanoylamino)propyl]amino]propyl]propanamide
CID 118136023
N-[3-(dimethylamino)but-3-en-2-yl]acetamide
CID 123435703

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-amino-4-[ethyl(methyl)amino]but-3-enyl]acetamide?
The IUPAC name of N-[(Z)-3-amino-4-[ethyl(methyl)amino]but-3-enyl]acetamide (CID 142959970) is N-[(Z)-3-amino-4-[ethyl(methyl)amino]but-3-enyl]acetamide.
What is the SMILES notation for N-[(Z)-3-amino-4-[ethyl(methyl)amino]but-3-enyl]acetamide?
The canonical SMILES for N-[(Z)-3-amino-4-[ethyl(methyl)amino]but-3-enyl]acetamide is CCN(C)/C=C(\N)CCNC(C)=O.
What is the InChIKey of N-[(Z)-3-amino-4-[ethyl(methyl)amino]but-3-enyl]acetamide?
The InChIKey is BCKWBDBLLORYLE-CLFYSBASSA-N. The full InChI is InChI=1S/C9H19N3O/c1-4-12(3)7-9(10)5-6-11-8(2)13/h7H,4-6,10H2,1-3H3,(H,11,13)/b9-7-.
What are the key properties of N-[(Z)-3-amino-4-[ethyl(methyl)amino]but-3-enyl]acetamide?
N-[(Z)-3-amino-4-[ethyl(methyl)amino]but-3-enyl]acetamide has a molecular weight of 185.27 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-amino-4-[ethyl(methyl)amino]but-3-enyl]acetamide is sourced from PubChem (CID 142959970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).