2-[[amino-(2-methylpropylamino)methylidene]amino]acetamide

C7H16N4O — CID 62364363

IUPAC2-[[amino-(2-methylpropylamino)methylidene]amino]acetamide
SMILESCC(C)CN/C(N)=N/CC(N)=O
InChIInChI=1S/C7H16N4O/c1-5(2)3-10-7(9)11-4-6(8)12/h5H,3-4H2,1-2H3,(H2,8,12)(H3,9,10,11)
InChIKeyVNSAXHIBRGRKIP-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.97
Rot. Bonds4

About 2-[[amino-(2-methylpropylamino)methylidene]amino]acetamide

2-[[amino-(2-methylpropylamino)methylidene]amino]acetamide (PubChem CID 62364363) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-[[amino-(2-methylpropylamino)methylidene]amino]acetamide.

Molecular Properties

Compound Name2-[[amino-(2-methylpropylamino)methylidene]amino]acetamide
PubChem CID62364363
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC Name2-[[amino-(2-methylpropylamino)methylidene]amino]acetamide
SMILESCC(C)CN/C(N)=N/CC(N)=O
InChIInChI=1S/C7H16N4O/c1-5(2)3-10-7(9)11-4-6(8)12/h5H,3-4H2,1-2H3,(H2,8,12)(H3,9,10,11)
InChIKeyVNSAXHIBRGRKIP-UHFFFAOYSA-N
XLogP-0.97
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.97
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-[[amino-(2-methylpropylamino)methylidene]amino]-N-prop-2-ynylacetamide;hydroiodide
CID 111093384
3-[[amino-(2-methylpropylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 103646370
2-(1-aminoethylideneamino)-N-(2-methylpropyl)acetamide
CID 115612389
2-[[amino-(2-methylpropylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111089284
2-(2-methyl-2-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine
CID 111814810
1-(diaminomethylidene)-3-(2-methylpropyl)urea
CID 18722015
1-(2-methylpropyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine
CID 120603258
2-[2-(methanesulfonamido)-2-methylpropyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111110801
2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-(2-methylpropyl)guanidine
CID 122082218
N-[4-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]-2-methylpropanamide;hydroiodide
CID 111040435
1-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methyl]guanidine
CID 62362032
1-(2-methylpropyl)-2-(pyridin-4-ylmethyl)guanidine
CID 62362186

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(2-methylpropylamino)methylidene]amino]acetamide?
The IUPAC name of 2-[[amino-(2-methylpropylamino)methylidene]amino]acetamide (CID 62364363) is 2-[[amino-(2-methylpropylamino)methylidene]amino]acetamide.
What is the SMILES notation for 2-[[amino-(2-methylpropylamino)methylidene]amino]acetamide?
The canonical SMILES for 2-[[amino-(2-methylpropylamino)methylidene]amino]acetamide is CC(C)CN/C(N)=N/CC(N)=O.
What is the InChIKey of 2-[[amino-(2-methylpropylamino)methylidene]amino]acetamide?
The InChIKey is VNSAXHIBRGRKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O/c1-5(2)3-10-7(9)11-4-6(8)12/h5H,3-4H2,1-2H3,(H2,8,12)(H3,9,10,11).
What are the key properties of 2-[[amino-(2-methylpropylamino)methylidene]amino]acetamide?
2-[[amino-(2-methylpropylamino)methylidene]amino]acetamide has a molecular weight of 172.23 g/mol, XLogP of -0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(2-methylpropylamino)methylidene]amino]acetamide is sourced from PubChem (CID 62364363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).