2-amino-5-(diaminomethylideneamino)-N-propan-2-ylpentanamide

C9H21N5O — CID 18343481

IUPAC2-amino-5-(diaminomethylideneamino)-N-propan-2-ylpentanamide
SMILESCC(C)NC(=O)C(N)CCCN=C(N)N
InChIInChI=1S/C9H21N5O/c1-6(2)14-8(15)7(10)4-3-5-13-9(11)12/h6-7H,3-5,10H2,1-2H3,(H,14,15)(H4,11,12,13)
InChIKeyRRCURSTUWMMOJX-UHFFFAOYSA-N
MW215.30 g/mol
LogP-1.11
Rot. Bonds6

About 2-amino-5-(diaminomethylideneamino)-N-propan-2-ylpentanamide

2-amino-5-(diaminomethylideneamino)-N-propan-2-ylpentanamide (PubChem CID 18343481) has the molecular formula C9H21N5O and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-amino-5-(diaminomethylideneamino)-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name2-amino-5-(diaminomethylideneamino)-N-propan-2-ylpentanamide
PubChem CID18343481
Molecular FormulaC9H21N5O
Molecular Weight215.30 g/mol
Exact Mass215.17
IUPAC Name2-amino-5-(diaminomethylideneamino)-N-propan-2-ylpentanamide
SMILESCC(C)NC(=O)C(N)CCCN=C(N)N
InChIInChI=1S/C9H21N5O/c1-6(2)14-8(15)7(10)4-3-5-13-9(11)12/h6-7H,3-5,10H2,1-2H3,(H,14,15)(H4,11,12,13)
InChIKeyRRCURSTUWMMOJX-UHFFFAOYSA-N
XLogP-1.11
TPSA119.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-1.11
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'}

Analyze 2-amino-5-(diaminomethylideneamino)-N-propan-2-ylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(diaminomethylideneamino)-N-propan-2-ylpentanamide?
The IUPAC name of 2-amino-5-(diaminomethylideneamino)-N-propan-2-ylpentanamide (CID 18343481) is 2-amino-5-(diaminomethylideneamino)-N-propan-2-ylpentanamide.
What is the SMILES notation for 2-amino-5-(diaminomethylideneamino)-N-propan-2-ylpentanamide?
The canonical SMILES for 2-amino-5-(diaminomethylideneamino)-N-propan-2-ylpentanamide is CC(C)NC(=O)C(N)CCCN=C(N)N.
What is the InChIKey of 2-amino-5-(diaminomethylideneamino)-N-propan-2-ylpentanamide?
The InChIKey is RRCURSTUWMMOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5O/c1-6(2)14-8(15)7(10)4-3-5-13-9(11)12/h6-7H,3-5,10H2,1-2H3,(H,14,15)(H4,11,12,13).
What are the key properties of 2-amino-5-(diaminomethylideneamino)-N-propan-2-ylpentanamide?
2-amino-5-(diaminomethylideneamino)-N-propan-2-ylpentanamide has a molecular weight of 215.30 g/mol, XLogP of -1.11, 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-propan-2-ylpentanamide is sourced from PubChem (CID 18343481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).