3-[[(Z)-2-aminoethenyl]-methylamino]-N,2-dimethylpropanamide

C8H17N3O — CID 143156667

IUPAC3-[[(Z)-2-aminoethenyl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)/C=C\N
InChIInChI=1S/C8H17N3O/c1-7(8(12)10-2)6-11(3)5-4-9/h4-5,7H,6,9H2,1-3H3,(H,10,12)/b5-4-
InChIKeyCWCSIWPRRHXJJB-PLNGDYQASA-N
MW171.24 g/mol
LogP-0.27
Rot. Bonds4

About 3-[[(Z)-2-aminoethenyl]-methylamino]-N,2-dimethylpropanamide

3-[[(Z)-2-aminoethenyl]-methylamino]-N,2-dimethylpropanamide (PubChem CID 143156667) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-[[(Z)-2-aminoethenyl]-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[(Z)-2-aminoethenyl]-methylamino]-N,2-dimethylpropanamide
PubChem CID143156667
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name3-[[(Z)-2-aminoethenyl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)/C=C\N
InChIInChI=1S/C8H17N3O/c1-7(8(12)10-2)6-11(3)5-4-9/h4-5,7H,6,9H2,1-3H3,(H,10,12)/b5-4-
InChIKeyCWCSIWPRRHXJJB-PLNGDYQASA-N
XLogP-0.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 9855461
3-(dimethylamino)-N-ethenylpropanamide
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N,N-dimethylacetamide;N-ethenylpropanamide
CID 88468189
N,2-dimethyl-3-(methylamino)propanamide;ethenone
CID 91444745
N-[3-[[(Z)-2-aminoethenyl]-propylamino]propyl]-2,2-dimethylpropanamide
CID 130352670
3-[2-[[(E)-2-aminoethenyl]amino]ethyl-(2-aminoethyl)amino]-N-methylpropanamide
CID 143378988
4-(dimethylamino)-N-ethenylbutanamide
CID 150320747
N-ethenylazetidine-3-carboxamide
CID 156260912
N-ethenyl-1-methylazetidine-3-carboxamide
CID 156647641
6,6-dimethyl-4,5-dihydro-1H-1,4-diazepin-7-one;ethane
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N-ethenyl-2-methylpropanamide;2-methylpropanamide
CID 158076450

Frequently Asked Questions

What is the IUPAC name of 3-[[(Z)-2-aminoethenyl]-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[[(Z)-2-aminoethenyl]-methylamino]-N,2-dimethylpropanamide (CID 143156667) is 3-[[(Z)-2-aminoethenyl]-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[[(Z)-2-aminoethenyl]-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[[(Z)-2-aminoethenyl]-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)/C=C\N.
What is the InChIKey of 3-[[(Z)-2-aminoethenyl]-methylamino]-N,2-dimethylpropanamide?
The InChIKey is CWCSIWPRRHXJJB-PLNGDYQASA-N. The full InChI is InChI=1S/C8H17N3O/c1-7(8(12)10-2)6-11(3)5-4-9/h4-5,7H,6,9H2,1-3H3,(H,10,12)/b5-4-.
What are the key properties of 3-[[(Z)-2-aminoethenyl]-methylamino]-N,2-dimethylpropanamide?
3-[[(Z)-2-aminoethenyl]-methylamino]-N,2-dimethylpropanamide has a molecular weight of 171.24 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(Z)-2-aminoethenyl]-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 143156667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).