3-[[amino-(2-methylpropylamino)methylidene]amino]-2,2-dimethylpropanamide

C10H22N4O — CID 103646370

IUPAC3-[[amino-(2-methylpropylamino)methylidene]amino]-2,2-dimethylpropanamide
SMILESCC(C)CN/C(N)=N/CC(C)(C)C(N)=O
InChIInChI=1S/C10H22N4O/c1-7(2)5-13-9(12)14-6-10(3,4)8(11)15/h7H,5-6H2,1-4H3,(H2,11,15)(H3,12,13,14)
InChIKeyPQSIBHJLWPWODY-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.06
Rot. Bonds5

About 3-[[amino-(2-methylpropylamino)methylidene]amino]-2,2-dimethylpropanamide

3-[[amino-(2-methylpropylamino)methylidene]amino]-2,2-dimethylpropanamide (PubChem CID 103646370) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[[amino-(2-methylpropylamino)methylidene]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[amino-(2-methylpropylamino)methylidene]amino]-2,2-dimethylpropanamide
PubChem CID103646370
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name3-[[amino-(2-methylpropylamino)methylidene]amino]-2,2-dimethylpropanamide
SMILESCC(C)CN/C(N)=N/CC(C)(C)C(N)=O
InChIInChI=1S/C10H22N4O/c1-7(2)5-13-9(12)14-6-10(3,4)8(11)15/h7H,5-6H2,1-4H3,(H2,11,15)(H3,12,13,14)
InChIKeyPQSIBHJLWPWODY-UHFFFAOYSA-N
XLogP0.06
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.06
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

2-(2-methyl-2-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine
CID 111814810
3-[[amino-(butan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 110920182
2-[[amino-(2-methylpropylamino)methylidene]amino]acetamide
CID 62364363
3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111072569
2-[2-(methanesulfonamido)-2-methylpropyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111110801
2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine
CID 106248114
3-[(1-amino-2-methylpropylidene)amino]-2,2-dimethylpropanamide
CID 106280324
2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-methylpropyl)guanidine
CID 111028794
3-[bis(ethylamino)methylideneamino]-2,2-dimethylpropanamide
CID 110916054
2-(2-methyl-2-morpholin-4-ylpropyl)-1-(2-methylpropyl)guanidine
CID 111028508
3-[[ethylamino-(propan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 111124041
2-[2-methyl-2-(2-methylphenyl)propyl]-1-(2-methylpropyl)guanidine
CID 111087970

Frequently Asked Questions

What is the IUPAC name of 3-[[amino-(2-methylpropylamino)methylidene]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[amino-(2-methylpropylamino)methylidene]amino]-2,2-dimethylpropanamide (CID 103646370) is 3-[[amino-(2-methylpropylamino)methylidene]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[amino-(2-methylpropylamino)methylidene]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[amino-(2-methylpropylamino)methylidene]amino]-2,2-dimethylpropanamide is CC(C)CN/C(N)=N/CC(C)(C)C(N)=O.
What is the InChIKey of 3-[[amino-(2-methylpropylamino)methylidene]amino]-2,2-dimethylpropanamide?
The InChIKey is PQSIBHJLWPWODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-7(2)5-13-9(12)14-6-10(3,4)8(11)15/h7H,5-6H2,1-4H3,(H2,11,15)(H3,12,13,14).
What are the key properties of 3-[[amino-(2-methylpropylamino)methylidene]amino]-2,2-dimethylpropanamide?
3-[[amino-(2-methylpropylamino)methylidene]amino]-2,2-dimethylpropanamide has a molecular weight of 214.31 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino-(2-methylpropylamino)methylidene]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 103646370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).