2-amino-N'-carbamimidoyl-3-methylbut-2-enimidamide

C6H13N5 — CID 146852422

IUPAC2-amino-N'-carbamimidoyl-3-methylbut-2-enimidamide
SMILES[H]/N=C(\N)N=C(N)C(N)=C(C)C
InChIInChI=1S/C6H13N5/c1-3(2)4(7)5(8)11-6(9)10/h7H2,1-2H3,(H5,8,9,10,11)
InChIKeySIXRNPZRHYHDCX-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.51
Rot. Bonds1

About 2-amino-N'-carbamimidoyl-3-methylbut-2-enimidamide

2-amino-N'-carbamimidoyl-3-methylbut-2-enimidamide (PubChem CID 146852422) has the molecular formula C6H13N5 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-amino-N'-carbamimidoyl-3-methylbut-2-enimidamide.

Molecular Properties

Compound Name2-amino-N'-carbamimidoyl-3-methylbut-2-enimidamide
PubChem CID146852422
Molecular FormulaC6H13N5
Molecular Weight155.20 g/mol
Exact Mass155.12
IUPAC Name2-amino-N'-carbamimidoyl-3-methylbut-2-enimidamide
SMILES[H]/N=C(\N)N=C(N)C(N)=C(C)C
InChIInChI=1S/C6H13N5/c1-3(2)4(7)5(8)11-6(9)10/h7H2,1-2H3,(H5,8,9,10,11)
InChIKeySIXRNPZRHYHDCX-UHFFFAOYSA-N
XLogP-0.51
TPSA114.27 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.51
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

(E)-2-amino-3-(1-aminoethylideneamino)but-2-enimidamide
CID 137148896
(E)-3-amino-N'-(1-aminoethenyl)-2-methylbut-2-enimidamide
CID 137379760
2-Amino-3-methylbut-2-enimidamide
CID 138525809
3,4-Dimethylazet-2-amine
CID 142771798
2-amino-3-methyl-N'-(3-methylbut-2-en-2-yl)but-2-enimidamide
CID 166870968
(Z)-2,3-diamino-N'-methylbut-2-enimidamide
CID 167237416
(E)-3-amino-N'-(1-aminoethenyl)-2-methylbut-2-enimidamide
CID 173782511
(E)-N'-ethanimidoyl-2-methyl-3-(methylideneamino)but-2-enimidamide
CID 176523903
2-(1-aminoethylidene)-3-N'-methylpropanediimidamide
CID 162382022

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-carbamimidoyl-3-methylbut-2-enimidamide?
The IUPAC name of 2-amino-N'-carbamimidoyl-3-methylbut-2-enimidamide (CID 146852422) is 2-amino-N'-carbamimidoyl-3-methylbut-2-enimidamide.
What is the SMILES notation for 2-amino-N'-carbamimidoyl-3-methylbut-2-enimidamide?
The canonical SMILES for 2-amino-N'-carbamimidoyl-3-methylbut-2-enimidamide is [H]/N=C(\N)N=C(N)C(N)=C(C)C.
What is the InChIKey of 2-amino-N'-carbamimidoyl-3-methylbut-2-enimidamide?
The InChIKey is SIXRNPZRHYHDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5/c1-3(2)4(7)5(8)11-6(9)10/h7H2,1-2H3,(H5,8,9,10,11).
What are the key properties of 2-amino-N'-carbamimidoyl-3-methylbut-2-enimidamide?
2-amino-N'-carbamimidoyl-3-methylbut-2-enimidamide has a molecular weight of 155.20 g/mol, XLogP of -0.51, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-carbamimidoyl-3-methylbut-2-enimidamide is sourced from PubChem (CID 146852422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).