5-(1-aminoethylideneamino)-2-methylpentanamide

C8H17N3O — CID 58871596

IUPAC5-(1-aminoethylideneamino)-2-methylpentanamide
SMILESC/C(N)=N\CCCC(C)C(N)=O
InChIInChI=1S/C8H17N3O/c1-6(8(10)12)4-3-5-11-7(2)9/h6H,3-5H2,1-2H3,(H2,9,11)(H2,10,12)
InChIKeyPJNDRQPYHSJFAH-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.27
Rot. Bonds5

About 5-(1-aminoethylideneamino)-2-methylpentanamide

5-(1-aminoethylideneamino)-2-methylpentanamide (PubChem CID 58871596) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 5-(1-aminoethylideneamino)-2-methylpentanamide.

Molecular Properties

Compound Name5-(1-aminoethylideneamino)-2-methylpentanamide
PubChem CID58871596
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name5-(1-aminoethylideneamino)-2-methylpentanamide
SMILESC/C(N)=N\CCCC(C)C(N)=O
InChIInChI=1S/C8H17N3O/c1-6(8(10)12)4-3-5-11-7(2)9/h6H,3-5H2,1-2H3,(H2,9,11)(H2,10,12)
InChIKeyPJNDRQPYHSJFAH-UHFFFAOYSA-N
XLogP0.27
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 5-(1-aminoethylideneamino)-2-methylpentanamide?
The IUPAC name of 5-(1-aminoethylideneamino)-2-methylpentanamide (CID 58871596) is 5-(1-aminoethylideneamino)-2-methylpentanamide.
What is the SMILES notation for 5-(1-aminoethylideneamino)-2-methylpentanamide?
The canonical SMILES for 5-(1-aminoethylideneamino)-2-methylpentanamide is C/C(N)=N\CCCC(C)C(N)=O.
What is the InChIKey of 5-(1-aminoethylideneamino)-2-methylpentanamide?
The InChIKey is PJNDRQPYHSJFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6(8(10)12)4-3-5-11-7(2)9/h6H,3-5H2,1-2H3,(H2,9,11)(H2,10,12).
What are the key properties of 5-(1-aminoethylideneamino)-2-methylpentanamide?
5-(1-aminoethylideneamino)-2-methylpentanamide has a molecular weight of 171.24 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethylideneamino)-2-methylpentanamide is sourced from PubChem (CID 58871596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).