2-iminohexanediamide

C6H11N3O2 — CID 175736395

IUPAC2-iminohexanediamide
SMILES[H]/N=C(\CCCC(N)=O)C(N)=O
InChIInChI=1S/C6H11N3O2/c7-4(6(9)11)2-1-3-5(8)10/h7H,1-3H2,(H2,8,10)(H2,9,11)/b7-4+
InChIKeyQOTSUMAZFHGAOO-QPJJXVBHSA-N
MW157.17 g/mol
LogP-0.85
Rot. Bonds5

About 2-iminohexanediamide

2-iminohexanediamide (PubChem CID 175736395) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-iminohexanediamide.

Molecular Properties

Compound Name2-iminohexanediamide
PubChem CID175736395
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name2-iminohexanediamide
SMILES[H]/N=C(\CCCC(N)=O)C(N)=O
InChIInChI=1S/C6H11N3O2/c7-4(6(9)11)2-1-3-5(8)10/h7H,1-3H2,(H2,8,10)(H2,9,11)/b7-4+
InChIKeyQOTSUMAZFHGAOO-QPJJXVBHSA-N
XLogP-0.85
TPSA110.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-iminohexanediamide with MolForge

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

Launch Full Analysis

Related Compounds

5-iminoheptanamide
CID 123928104
hexanediamide;hydrazine
CID 160978463
docosanediamide;hexacosanediamide
CID 129179979
dodecanediamide;nonanediamide
CID 175017820
nonatetracontanediamide
CID 162734608
pentadecanediamide
CID 87429217
hexanediamide;hydrazine
CID 160854105
2-methylidenehexanediamide
CID 22482529
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-2-iminopentanamide
CID 54272588
copper;tridecanediamide
CID 159780260
2-iminohexanoic acid
CID 54447751
ethyl 6-amino-6-oxohexanimidate;hydrochloride
CID 87460116

Frequently Asked Questions

What is the IUPAC name of 2-iminohexanediamide?
The IUPAC name of 2-iminohexanediamide (CID 175736395) is 2-iminohexanediamide.
What is the SMILES notation for 2-iminohexanediamide?
The canonical SMILES for 2-iminohexanediamide is [H]/N=C(\CCCC(N)=O)C(N)=O.
What is the InChIKey of 2-iminohexanediamide?
The InChIKey is QOTSUMAZFHGAOO-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H11N3O2/c7-4(6(9)11)2-1-3-5(8)10/h7H,1-3H2,(H2,8,10)(H2,9,11)/b7-4+.
What are the key properties of 2-iminohexanediamide?
2-iminohexanediamide has a molecular weight of 157.17 g/mol, XLogP of -0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminohexanediamide is sourced from PubChem (CID 175736395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).