5-(dimethylaminomethylideneamino)-2-iminopentanoic acid

C8H15N3O2 — CID 102300766

IUPAC5-(dimethylaminomethylideneamino)-2-iminopentanoic acid
SMILES[H]/N=C(\CCC/N=C/N(C)C)C(=O)O
InChIInChI=1S/C8H15N3O2/c1-11(2)6-10-5-3-4-7(9)8(12)13/h6,9H,3-5H2,1-2H3,(H,12,13)/b9-7+,10-6+
InChIKeyPDEJSSYLMHOMII-IDXDHNASSA-N
MW185.23 g/mol
LogP0.46
Rot. Bonds6

About 5-(dimethylaminomethylideneamino)-2-iminopentanoic acid

5-(dimethylaminomethylideneamino)-2-iminopentanoic acid (PubChem CID 102300766) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 5-(dimethylaminomethylideneamino)-2-iminopentanoic acid.

Molecular Properties

Compound Name5-(dimethylaminomethylideneamino)-2-iminopentanoic acid
PubChem CID102300766
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name5-(dimethylaminomethylideneamino)-2-iminopentanoic acid
SMILES[H]/N=C(\CCC/N=C/N(C)C)C(=O)O
InChIInChI=1S/C8H15N3O2/c1-11(2)6-10-5-3-4-7(9)8(12)13/h6,9H,3-5H2,1-2H3,(H,12,13)/b9-7+,10-6+
InChIKeyPDEJSSYLMHOMII-IDXDHNASSA-N
XLogP0.46
TPSA76.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.46
H-Bond Donors ≤ 52
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 5-(dimethylaminomethylideneamino)-2-iminopentanoic acid 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

2-iminohexanoic acid
CID 54447751
6-acetamido-2-iminohexanoic acid
CID 176706839
CID 161078070
CID 161078070
N'-(5-hydroxypentyl)-N,N-dimethylmethanimidamide
CID 10820850
4-(dimethylaminomethylidenecarbamothioylamino)butylcarbamic acid
CID 74053182
2-[[(E)-dimethylaminomethylidenecarbamothioyl]amino]ethylcarbamic acid
CID 23442723
2-imino-4,4-dimethylpentanoic acid
CID 148878932
4-tert-butylimino-2-iminopentanoic acid
CID 123412428
4-[2-(cyclopropanecarbonyl)hydrazinyl]-2-iminobutanoic acid
CID 175546384
(Z)-3-iminodec-7-en-2-one
CID 88953848
[5-(dimethylamino)-5-oxopentyl]carbamic acid
CID 87506215
4-hydroxy-2-iminohexanoic acid
CID 174538418

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylaminomethylideneamino)-2-iminopentanoic acid?
The IUPAC name of 5-(dimethylaminomethylideneamino)-2-iminopentanoic acid (CID 102300766) is 5-(dimethylaminomethylideneamino)-2-iminopentanoic acid.
What is the SMILES notation for 5-(dimethylaminomethylideneamino)-2-iminopentanoic acid?
The canonical SMILES for 5-(dimethylaminomethylideneamino)-2-iminopentanoic acid is [H]/N=C(\CCC/N=C/N(C)C)C(=O)O.
What is the InChIKey of 5-(dimethylaminomethylideneamino)-2-iminopentanoic acid?
The InChIKey is PDEJSSYLMHOMII-IDXDHNASSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-11(2)6-10-5-3-4-7(9)8(12)13/h6,9H,3-5H2,1-2H3,(H,12,13)/b9-7+,10-6+.
What are the key properties of 5-(dimethylaminomethylideneamino)-2-iminopentanoic acid?
5-(dimethylaminomethylideneamino)-2-iminopentanoic acid has a molecular weight of 185.23 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylaminomethylideneamino)-2-iminopentanoic acid is sourced from PubChem (CID 102300766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).