2-amino-N-(diaminomethylidene)propanimidamide

C4H11N5 — CID 176533590

IUPAC2-amino-N-(diaminomethylidene)propanimidamide
SMILES[H]/N=C(\N=C(N)N)C(C)N
InChIInChI=1S/C4H11N5/c1-2(5)3(6)9-4(7)8/h2H,5H2,1H3,(H5,6,7,8,9)
InChIKeyKVXVTFPZFKOESB-UHFFFAOYSA-N
MW129.17 g/mol
LogP-1.42
Rot. Bonds1

About 2-amino-N-(diaminomethylidene)propanimidamide

2-amino-N-(diaminomethylidene)propanimidamide (PubChem CID 176533590) has the molecular formula C4H11N5 and a molecular weight of 129.17 g/mol. Its IUPAC name is 2-amino-N-(diaminomethylidene)propanimidamide.

Molecular Properties

Compound Name2-amino-N-(diaminomethylidene)propanimidamide
PubChem CID176533590
Molecular FormulaC4H11N5
Molecular Weight129.17 g/mol
Exact Mass129.10
IUPAC Name2-amino-N-(diaminomethylidene)propanimidamide
SMILES[H]/N=C(\N=C(N)N)C(C)N
InChIInChI=1S/C4H11N5/c1-2(5)3(6)9-4(7)8/h2H,5H2,1H3,(H5,6,7,8,9)
InChIKeyKVXVTFPZFKOESB-UHFFFAOYSA-N
XLogP-1.42
TPSA114.27 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.17
LogP ≤ 5-1.42
H-Bond Donors ≤ 54
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

3-amino-2-iminobutanamide
CID 123991333
3-amino-2-oxobutanimidamide
CID 140996004
1-(cyclopropylmethyl)-3-(diaminomethylidene)-1-propan-2-ylguanidine
CID 83032026
N-(diaminomethylidene)-2-propan-2-ylpyrrolidine-1-carboximidamide
CID 83036360
3-(diaminomethylidene)-1,1-dimethylguanidine;2-hydroxypropanoic acid
CID 46892505
1-(diaminomethylidene)-3-(4-methylpentyl)guanidine;hydrochloride
CID 176517139
2-[N,N-di(propan-2-yl)carbamimidoyl]-1,1-di(propan-2-yl)guanidine;sulfuric acid
CID 86583226
2-methylpropanimidamide;hydrochloride
CID 2782053
methyl (2S)-2-amino-3-methylbutanimidate
CID 134918429
2,2,2-trichloro-N-(diaminomethylidene)ethanimidamide
CID 176524428
3-(diaminomethylidene)-1-[1-(N-[N-(diaminomethylidene)carbamimidoyl]-3,5-dimethylanilino)ethyl]-1-(3,5-dimethylphenyl)guanidine
CID 141007128
(2R)-2-hydroxypropanimidamide;hydrochloride
CID 42614222

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(diaminomethylidene)propanimidamide?
The IUPAC name of 2-amino-N-(diaminomethylidene)propanimidamide (CID 176533590) is 2-amino-N-(diaminomethylidene)propanimidamide.
What is the SMILES notation for 2-amino-N-(diaminomethylidene)propanimidamide?
The canonical SMILES for 2-amino-N-(diaminomethylidene)propanimidamide is [H]/N=C(\N=C(N)N)C(C)N.
What is the InChIKey of 2-amino-N-(diaminomethylidene)propanimidamide?
The InChIKey is KVXVTFPZFKOESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N5/c1-2(5)3(6)9-4(7)8/h2H,5H2,1H3,(H5,6,7,8,9).
What are the key properties of 2-amino-N-(diaminomethylidene)propanimidamide?
2-amino-N-(diaminomethylidene)propanimidamide has a molecular weight of 129.17 g/mol, XLogP of -1.42, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(diaminomethylidene)propanimidamide is sourced from PubChem (CID 176533590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).