2-(1-aminopropylideneamino)-3-methylbutanamide

C8H17N3O — CID 106347302

IUPAC2-(1-aminopropylideneamino)-3-methylbutanamide
SMILESCC/C(N)=N\C(C(N)=O)C(C)C
InChIInChI=1S/C8H17N3O/c1-4-6(9)11-7(5(2)3)8(10)12/h5,7H,4H2,1-3H3,(H2,9,11)(H2,10,12)
InChIKeyOMUQNLFYAVXZTP-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.26
Rot. Bonds4

About 2-(1-aminopropylideneamino)-3-methylbutanamide

2-(1-aminopropylideneamino)-3-methylbutanamide (PubChem CID 106347302) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(1-aminopropylideneamino)-3-methylbutanamide.

Molecular Properties

Compound Name2-(1-aminopropylideneamino)-3-methylbutanamide
PubChem CID106347302
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-(1-aminopropylideneamino)-3-methylbutanamide
SMILESCC/C(N)=N\C(C(N)=O)C(C)C
InChIInChI=1S/C8H17N3O/c1-4-6(9)11-7(5(2)3)8(10)12/h5,7H,4H2,1-3H3,(H2,9,11)(H2,10,12)
InChIKeyOMUQNLFYAVXZTP-UHFFFAOYSA-N
XLogP0.26
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.26
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

2-(N'-propylcarbamimidoyl)butanamide
CID 87476604
N'-(2-amino-3-oxobutyl)-2-methylbutanimidamide
CID 123669719
N-[(2S)-1-amino-1-ethylimino-3-methylbutan-2-yl]-N,3-dimethylbutanamide
CID 134421183
2-amino-3-methyl-N'-(3-oxobutan-2-yl)butanimidamide
CID 156255764
2-(1-Aminopropylideneamino)propanamide
CID 63175972
2-(1-Aminobutylideneamino)propanamide
CID 63176031
2-[(1-Amino-2-methylpropylidene)amino]propanamide
CID 63176032
2-[[Amino(cyclopropyl)methylidene]amino]propanamide
CID 63176033
2-[(1-Amino-2,2-dimethylpropylidene)amino]propanamide
CID 63176034
2-[[Amino(cyclopentyl)methylidene]amino]propanamide
CID 63176035
4-[(2-Methylpropanimidoyl)amino]butanamide
CID 63176174
2-(1-Aminobutylideneamino)-2-methylpropanamide
CID 63178131

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropylideneamino)-3-methylbutanamide?
The IUPAC name of 2-(1-aminopropylideneamino)-3-methylbutanamide (CID 106347302) is 2-(1-aminopropylideneamino)-3-methylbutanamide.
What is the SMILES notation for 2-(1-aminopropylideneamino)-3-methylbutanamide?
The canonical SMILES for 2-(1-aminopropylideneamino)-3-methylbutanamide is CC/C(N)=N\C(C(N)=O)C(C)C.
What is the InChIKey of 2-(1-aminopropylideneamino)-3-methylbutanamide?
The InChIKey is OMUQNLFYAVXZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-4-6(9)11-7(5(2)3)8(10)12/h5,7H,4H2,1-3H3,(H2,9,11)(H2,10,12).
What are the key properties of 2-(1-aminopropylideneamino)-3-methylbutanamide?
2-(1-aminopropylideneamino)-3-methylbutanamide has a molecular weight of 171.24 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropylideneamino)-3-methylbutanamide is sourced from PubChem (CID 106347302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).