2-(diaminomethylideneamino)-N,2-dimethylpropanamide

C6H14N4O — CID 130631342

IUPAC2-(diaminomethylideneamino)-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)N=C(N)N
InChIInChI=1S/C6H14N4O/c1-6(2,4(11)9-3)10-5(7)8/h1-3H3,(H,9,11)(H4,7,8,10)
InChIKeyNWGUVZGBYPGXLB-UHFFFAOYSA-N
MW158.20 g/mol
LogP-1.22
Rot. Bonds2

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

2-(diaminomethylideneamino)-N,2-dimethylpropanamide (PubChem CID 130631342) has the molecular formula C6H14N4O and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(diaminomethylideneamino)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-(diaminomethylideneamino)-N,2-dimethylpropanamide
PubChem CID130631342
Molecular FormulaC6H14N4O
Molecular Weight158.20 g/mol
Exact Mass158.12
IUPAC Name2-(diaminomethylideneamino)-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)N=C(N)N
InChIInChI=1S/C6H14N4O/c1-6(2,4(11)9-3)10-5(7)8/h1-3H3,(H,9,11)(H4,7,8,10)
InChIKeyNWGUVZGBYPGXLB-UHFFFAOYSA-N
XLogP-1.22
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.22
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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Related Compounds

N,2-dimethyl-2-(methylamino)propanamide;hydrochloride
CID 75530899
2-[[(E)-3-amino-3-nitroprop-2-enylidene]amino]-N,2-dimethylpropanamide
CID 166571946
3-[[amino-(hydroxyamino)methylidene]amino]-N,2,2-trimethylpropanamide
CID 106280285
3-(1-aminopropylideneamino)-N,2,2-trimethylpropanamide
CID 106280332
3-amino-N,2,2-trimethylpropanamide;hydrochloride
CID 22364426
3-[[amino(ethylamino)methylidene]amino]-N,2,2-trimethylpropanamide
CID 103822795
methylurea;hydrate
CID 141425619
methylurea;ruthenium
CID 159209634
hydrazine;methylurea
CID 158581810
2-(aminomethyl)-N,2-dimethylbutanamide
CID 114290214
3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-hydroxyimino-2,2-dimethylpropanamide
CID 114167670
2-hydroxy-2-methoxy-N-methylpropanamide
CID 163570537

Frequently Asked Questions

What is the IUPAC name of 2-(diaminomethylideneamino)-N,2-dimethylpropanamide?
The IUPAC name of 2-(diaminomethylideneamino)-N,2-dimethylpropanamide (CID 130631342) is 2-(diaminomethylideneamino)-N,2-dimethylpropanamide.
What is the SMILES notation for 2-(diaminomethylideneamino)-N,2-dimethylpropanamide?
The canonical SMILES for 2-(diaminomethylideneamino)-N,2-dimethylpropanamide is CNC(=O)C(C)(C)N=C(N)N.
What is the InChIKey of 2-(diaminomethylideneamino)-N,2-dimethylpropanamide?
The InChIKey is NWGUVZGBYPGXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O/c1-6(2,4(11)9-3)10-5(7)8/h1-3H3,(H,9,11)(H4,7,8,10).
What are the key properties of 2-(diaminomethylideneamino)-N,2-dimethylpropanamide?
2-(diaminomethylideneamino)-N,2-dimethylpropanamide has a molecular weight of 158.20 g/mol, XLogP of -1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diaminomethylideneamino)-N,2-dimethylpropanamide is sourced from PubChem (CID 130631342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).