2-(diaminomethylideneamino)-N,N-dimethylacetamide

C5H12N4O — CID 15452518

IUPAC2-(diaminomethylideneamino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN=C(N)N
InChIInChI=1S/C5H12N4O/c1-9(2)4(10)3-8-5(6)7/h3H2,1-2H3,(H4,6,7,8)
InChIKeyAVLDVRPGSMROHA-UHFFFAOYSA-N
MW144.18 g/mol
LogP-1.65
Rot. Bonds2

About 2-(diaminomethylideneamino)-N,N-dimethylacetamide

2-(diaminomethylideneamino)-N,N-dimethylacetamide (PubChem CID 15452518) has the molecular formula C5H12N4O and a molecular weight of 144.18 g/mol. Its IUPAC name is 2-(diaminomethylideneamino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(diaminomethylideneamino)-N,N-dimethylacetamide
PubChem CID15452518
Molecular FormulaC5H12N4O
Molecular Weight144.18 g/mol
Exact Mass144.10
IUPAC Name2-(diaminomethylideneamino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN=C(N)N
InChIInChI=1S/C5H12N4O/c1-9(2)4(10)3-8-5(6)7/h3H2,1-2H3,(H4,6,7,8)
InChIKeyAVLDVRPGSMROHA-UHFFFAOYSA-N
XLogP-1.65
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
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 2-(diaminomethylideneamino)-N,N-dimethylacetamide?
The IUPAC name of 2-(diaminomethylideneamino)-N,N-dimethylacetamide (CID 15452518) is 2-(diaminomethylideneamino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(diaminomethylideneamino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(diaminomethylideneamino)-N,N-dimethylacetamide is CN(C)C(=O)CN=C(N)N.
What is the InChIKey of 2-(diaminomethylideneamino)-N,N-dimethylacetamide?
The InChIKey is AVLDVRPGSMROHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O/c1-9(2)4(10)3-8-5(6)7/h3H2,1-2H3,(H4,6,7,8).
What are the key properties of 2-(diaminomethylideneamino)-N,N-dimethylacetamide?
2-(diaminomethylideneamino)-N,N-dimethylacetamide has a molecular weight of 144.18 g/mol, XLogP of -1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diaminomethylideneamino)-N,N-dimethylacetamide is sourced from PubChem (CID 15452518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).