N'-(diaminomethylidene)pentanediamide

C6H12N4O2 — CID 146034361

IUPACN'-(diaminomethylidene)pentanediamide
SMILESNC(=O)CCCC(=O)N=C(N)N
InChIInChI=1S/C6H12N4O2/c7-4(11)2-1-3-5(12)10-6(8)9/h1-3H2,(H2,7,11)(H4,8,9,10,12)
InChIKeyWWQUAWWREHRRQH-UHFFFAOYSA-N
MW172.19 g/mol
LogP-1.56
Rot. Bonds4

About N'-(diaminomethylidene)pentanediamide

N'-(diaminomethylidene)pentanediamide (PubChem CID 146034361) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is N'-(diaminomethylidene)pentanediamide.

Molecular Properties

Compound NameN'-(diaminomethylidene)pentanediamide
PubChem CID146034361
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC NameN'-(diaminomethylidene)pentanediamide
SMILESNC(=O)CCCC(=O)N=C(N)N
InChIInChI=1S/C6H12N4O2/c7-4(11)2-1-3-5(12)10-6(8)9/h1-3H2,(H2,7,11)(H4,8,9,10,12)
InChIKeyWWQUAWWREHRRQH-UHFFFAOYSA-N
XLogP-1.56
TPSA124.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 N'-(diaminomethylidene)pentanediamide?
The IUPAC name of N'-(diaminomethylidene)pentanediamide (CID 146034361) is N'-(diaminomethylidene)pentanediamide.
What is the SMILES notation for N'-(diaminomethylidene)pentanediamide?
The canonical SMILES for N'-(diaminomethylidene)pentanediamide is NC(=O)CCCC(=O)N=C(N)N.
What is the InChIKey of N'-(diaminomethylidene)pentanediamide?
The InChIKey is WWQUAWWREHRRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2/c7-4(11)2-1-3-5(12)10-6(8)9/h1-3H2,(H2,7,11)(H4,8,9,10,12).
What are the key properties of N'-(diaminomethylidene)pentanediamide?
N'-(diaminomethylidene)pentanediamide has a molecular weight of 172.19 g/mol, XLogP of -1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(diaminomethylidene)pentanediamide is sourced from PubChem (CID 146034361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).