4-[methanimidoyl(methyl)amino]butanamide

C6H13N3O — CID 144851146

IUPAC4-[methanimidoyl(methyl)amino]butanamide
SMILES[H]/N=C/N(C)CCCC(N)=O
InChIInChI=1S/C6H13N3O/c1-9(5-7)4-2-3-6(8)10/h5,7H,2-4H2,1H3,(H2,8,10)/b7-5+
InChIKeyDYDOKOPHXXNRPB-FNORWQNLSA-N
MW143.19 g/mol
LogP-0.21
Rot. Bonds5

About 4-[methanimidoyl(methyl)amino]butanamide

4-[methanimidoyl(methyl)amino]butanamide (PubChem CID 144851146) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-[methanimidoyl(methyl)amino]butanamide.

Molecular Properties

Compound Name4-[methanimidoyl(methyl)amino]butanamide
PubChem CID144851146
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name4-[methanimidoyl(methyl)amino]butanamide
SMILES[H]/N=C/N(C)CCCC(N)=O
InChIInChI=1S/C6H13N3O/c1-9(5-7)4-2-3-6(8)10/h5,7H,2-4H2,1H3,(H2,8,10)/b7-5+
InChIKeyDYDOKOPHXXNRPB-FNORWQNLSA-N
XLogP-0.21
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(aminomethyl)-N-methylmethanimidamide
CID 173489214
4-[2-[ethyl(methyl)amino]ethyl-methylamino]butanamide
CID 156749996
4-(dibutylamino)butanamide
CID 57071614
3-[(3-amino-3-oxopropyl)-methylamino]propanamide;bis(2-methylpropane)
CID 145273853
4-(2-amino-2-oxoethyl)-N-methanimidoyl-N,2-dimethyl-1H-pyrrole-3-carboxamide
CID 123317716
4-[carbamohydrazonoyl(methyl)amino]butanoic acid
CID 57260967
4-[(4-chlorophenyl)methyl-methylamino]butanamide
CID 14627807
3-[methyl(prop-2-ynyl)amino]propanamide
CID 131086259
5-iminoheptanamide
CID 123928104
3-[bis[3-(dimethylamino)propyl]amino]propanamide
CID 3097429
pentadecanediamide
CID 87429217
docosanediamide;hexacosanediamide
CID 129179979

Frequently Asked Questions

What is the IUPAC name of 4-[methanimidoyl(methyl)amino]butanamide?
The IUPAC name of 4-[methanimidoyl(methyl)amino]butanamide (CID 144851146) is 4-[methanimidoyl(methyl)amino]butanamide.
What is the SMILES notation for 4-[methanimidoyl(methyl)amino]butanamide?
The canonical SMILES for 4-[methanimidoyl(methyl)amino]butanamide is [H]/N=C/N(C)CCCC(N)=O.
What is the InChIKey of 4-[methanimidoyl(methyl)amino]butanamide?
The InChIKey is DYDOKOPHXXNRPB-FNORWQNLSA-N. The full InChI is InChI=1S/C6H13N3O/c1-9(5-7)4-2-3-6(8)10/h5,7H,2-4H2,1H3,(H2,8,10)/b7-5+.
What are the key properties of 4-[methanimidoyl(methyl)amino]butanamide?
4-[methanimidoyl(methyl)amino]butanamide has a molecular weight of 143.19 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methanimidoyl(methyl)amino]butanamide is sourced from PubChem (CID 144851146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).