(Z)-3-amino-2-(methylamino)-N-propylprop-2-enamide

C7H15N3O — CID 143915728

IUPAC(Z)-3-amino-2-(methylamino)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(=C/N)NC
InChIInChI=1S/C7H15N3O/c1-3-4-10-7(11)6(5-8)9-2/h5,9H,3-4,8H2,1-2H3,(H,10,11)/b6-5-
InChIKeyMHBKCBXGKRCKPG-WAYWQWQTSA-N
MW157.22 g/mol
LogP-0.47
Rot. Bonds4

About (Z)-3-amino-2-(methylamino)-N-propylprop-2-enamide

(Z)-3-amino-2-(methylamino)-N-propylprop-2-enamide (PubChem CID 143915728) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is (Z)-3-amino-2-(methylamino)-N-propylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-amino-2-(methylamino)-N-propylprop-2-enamide
PubChem CID143915728
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name(Z)-3-amino-2-(methylamino)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(=C/N)NC
InChIInChI=1S/C7H15N3O/c1-3-4-10-7(11)6(5-8)9-2/h5,9H,3-4,8H2,1-2H3,(H,10,11)/b6-5-
InChIKeyMHBKCBXGKRCKPG-WAYWQWQTSA-N
XLogP-0.47
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Acetamido-N-methylprop-2-enamide
CID 15658709
2-acetamido-N-butan-2-ylprop-2-enamide
CID 45119268
2-acetamido-N-propan-2-ylprop-2-enamide
CID 76315086
2-acetamido-N-ethylprop-2-enamide
CID 76315090
2-acetamido-N-propylprop-2-enamide
CID 76329580
N-tert-butyl-1,2,3,4-tetrahydropyrazine-5-carboxamide
CID 10313403
N-methyl-2-(methylamino)prop-2-enamide
CID 57978903
Methylidenepiperazine-2-one
CID 67575125
Propylaminomaleimide
CID 66927264
2-Acetamido-N,N-dimethylprop-2-enamide
CID 71361752
2-[acetyl(methyl)amino]-N-methylprop-2-enamide
CID 102342339
3-Butylamino-3-pyrrolin-2-one
CID 129766726

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-(methylamino)-N-propylprop-2-enamide?
The IUPAC name of (Z)-3-amino-2-(methylamino)-N-propylprop-2-enamide (CID 143915728) is (Z)-3-amino-2-(methylamino)-N-propylprop-2-enamide.
What is the SMILES notation for (Z)-3-amino-2-(methylamino)-N-propylprop-2-enamide?
The canonical SMILES for (Z)-3-amino-2-(methylamino)-N-propylprop-2-enamide is CCCNC(=O)/C(=C/N)NC.
What is the InChIKey of (Z)-3-amino-2-(methylamino)-N-propylprop-2-enamide?
The InChIKey is MHBKCBXGKRCKPG-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H15N3O/c1-3-4-10-7(11)6(5-8)9-2/h5,9H,3-4,8H2,1-2H3,(H,10,11)/b6-5-.
What are the key properties of (Z)-3-amino-2-(methylamino)-N-propylprop-2-enamide?
(Z)-3-amino-2-(methylamino)-N-propylprop-2-enamide has a molecular weight of 157.22 g/mol, XLogP of -0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-(methylamino)-N-propylprop-2-enamide is sourced from PubChem (CID 143915728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).