4-amino-4-propan-2-yliminobutanamide

C7H15N3O — CID 90897471

IUPAC4-amino-4-propan-2-yliminobutanamide
SMILESCC(C)/N=C(/N)CCC(N)=O
InChIInChI=1S/C7H15N3O/c1-5(2)10-6(8)3-4-7(9)11/h5H,3-4H2,1-2H3,(H2,8,10)(H2,9,11)
InChIKeyDVMSLYOEFNZSEI-UHFFFAOYSA-N
MW157.22 g/mol
LogP0.02
Rot. Bonds4

About 4-amino-4-propan-2-yliminobutanamide

4-amino-4-propan-2-yliminobutanamide (PubChem CID 90897471) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 4-amino-4-propan-2-yliminobutanamide.

Molecular Properties

Compound Name4-amino-4-propan-2-yliminobutanamide
PubChem CID90897471
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name4-amino-4-propan-2-yliminobutanamide
SMILESCC(C)/N=C(/N)CCC(N)=O
InChIInChI=1S/C7H15N3O/c1-5(2)10-6(8)3-4-7(9)11/h5H,3-4H2,1-2H3,(H2,8,10)(H2,9,11)
InChIKeyDVMSLYOEFNZSEI-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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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-propan-2-yliminobutanamide?
The IUPAC name of 4-amino-4-propan-2-yliminobutanamide (CID 90897471) is 4-amino-4-propan-2-yliminobutanamide.
What is the SMILES notation for 4-amino-4-propan-2-yliminobutanamide?
The canonical SMILES for 4-amino-4-propan-2-yliminobutanamide is CC(C)/N=C(/N)CCC(N)=O.
What is the InChIKey of 4-amino-4-propan-2-yliminobutanamide?
The InChIKey is DVMSLYOEFNZSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-5(2)10-6(8)3-4-7(9)11/h5H,3-4H2,1-2H3,(H2,8,10)(H2,9,11).
What are the key properties of 4-amino-4-propan-2-yliminobutanamide?
4-amino-4-propan-2-yliminobutanamide 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 4-amino-4-propan-2-yliminobutanamide is sourced from PubChem (CID 90897471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).