2-(1-aminopropylideneamino)butanamide

C7H15N3O — CID 131227217

IUPAC2-(1-aminopropylideneamino)butanamide
SMILESCC/C(N)=N\C(CC)C(N)=O
InChIInChI=1S/C7H15N3O/c1-3-5(7(9)11)10-6(8)4-2/h5H,3-4H2,1-2H3,(H2,8,10)(H2,9,11)
InChIKeyDDPQKSMHRFQMBZ-UHFFFAOYSA-N
MW157.22 g/mol
LogP0.02
Rot. Bonds4

About 2-(1-aminopropylideneamino)butanamide

2-(1-aminopropylideneamino)butanamide (PubChem CID 131227217) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-(1-aminopropylideneamino)butanamide.

Molecular Properties

Compound Name2-(1-aminopropylideneamino)butanamide
PubChem CID131227217
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name2-(1-aminopropylideneamino)butanamide
SMILESCC/C(N)=N\C(CC)C(N)=O
InChIInChI=1S/C7H15N3O/c1-3-5(7(9)11)10-6(8)4-2/h5H,3-4H2,1-2H3,(H2,8,10)(H2,9,11)
InChIKeyDDPQKSMHRFQMBZ-UHFFFAOYSA-N
XLogP0.02
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 50.02
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

1-aminopropylidenecarbamic acid
CID 54134440
2-(diaminomethylideneamino)butanoic acid;sulfuric acid
CID 175193978
methane;2-methylbutanamide
CID 158835184
2-aminobutanamide;hydrochloride
CID 14333659
(2S)-2-bromobutanamide
CID 51414846
2-hydroxybutanamide;hydrochloride
CID 87384831
N'-(6-methylheptan-2-yl)propanimidamide
CID 63177540
N'-octan-4-ylpropanimidamide
CID 106022229
3-[[(2S)-1-amino-1-oxobutan-2-yl]iminomethyl]hex-2-enoic acid
CID 174161274
2-(hydrazinecarbonyl)butanamide
CID 119096402
[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]azanium chloride
CID 139063739
methane;propanamide
CID 160666730

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropylideneamino)butanamide?
The IUPAC name of 2-(1-aminopropylideneamino)butanamide (CID 131227217) is 2-(1-aminopropylideneamino)butanamide.
What is the SMILES notation for 2-(1-aminopropylideneamino)butanamide?
The canonical SMILES for 2-(1-aminopropylideneamino)butanamide is CC/C(N)=N\C(CC)C(N)=O.
What is the InChIKey of 2-(1-aminopropylideneamino)butanamide?
The InChIKey is DDPQKSMHRFQMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-3-5(7(9)11)10-6(8)4-2/h5H,3-4H2,1-2H3,(H2,8,10)(H2,9,11).
What are the key properties of 2-(1-aminopropylideneamino)butanamide?
2-(1-aminopropylideneamino)butanamide has a molecular weight of 157.22 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropylideneamino)butanamide is sourced from PubChem (CID 131227217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).