2-amino-5-(diaminomethylideneamino)-N-ethylpentanamide

C8H19N5O — CID 19753743

IUPAC2-amino-5-(diaminomethylideneamino)-N-ethylpentanamide
SMILESCCNC(=O)C(N)CCCN=C(N)N
InChIInChI=1S/C8H19N5O/c1-2-12-7(14)6(9)4-3-5-13-8(10)11/h6H,2-5,9H2,1H3,(H,12,14)(H4,10,11,13)
InChIKeyJMASFCIFJJYUTB-UHFFFAOYSA-N
MW201.27 g/mol
LogP-1.50
Rot. Bonds6

About 2-amino-5-(diaminomethylideneamino)-N-ethylpentanamide

2-amino-5-(diaminomethylideneamino)-N-ethylpentanamide (PubChem CID 19753743) has the molecular formula C8H19N5O and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-amino-5-(diaminomethylideneamino)-N-ethylpentanamide.

Molecular Properties

Compound Name2-amino-5-(diaminomethylideneamino)-N-ethylpentanamide
PubChem CID19753743
Molecular FormulaC8H19N5O
Molecular Weight201.27 g/mol
Exact Mass201.16
IUPAC Name2-amino-5-(diaminomethylideneamino)-N-ethylpentanamide
SMILESCCNC(=O)C(N)CCCN=C(N)N
InChIInChI=1S/C8H19N5O/c1-2-12-7(14)6(9)4-3-5-13-8(10)11/h6H,2-5,9H2,1H3,(H,12,14)(H4,10,11,13)
InChIKeyJMASFCIFJJYUTB-UHFFFAOYSA-N
XLogP-1.50
TPSA119.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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 2-amino-5-(diaminomethylideneamino)-N-ethylpentanamide?
The IUPAC name of 2-amino-5-(diaminomethylideneamino)-N-ethylpentanamide (CID 19753743) is 2-amino-5-(diaminomethylideneamino)-N-ethylpentanamide.
What is the SMILES notation for 2-amino-5-(diaminomethylideneamino)-N-ethylpentanamide?
The canonical SMILES for 2-amino-5-(diaminomethylideneamino)-N-ethylpentanamide is CCNC(=O)C(N)CCCN=C(N)N.
What is the InChIKey of 2-amino-5-(diaminomethylideneamino)-N-ethylpentanamide?
The InChIKey is JMASFCIFJJYUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5O/c1-2-12-7(14)6(9)4-3-5-13-8(10)11/h6H,2-5,9H2,1H3,(H,12,14)(H4,10,11,13).
What are the key properties of 2-amino-5-(diaminomethylideneamino)-N-ethylpentanamide?
2-amino-5-(diaminomethylideneamino)-N-ethylpentanamide has a molecular weight of 201.27 g/mol, XLogP of -1.50, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(diaminomethylideneamino)-N-ethylpentanamide is sourced from PubChem (CID 19753743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).