N'-(2-aminoethenyl)-N-propan-2-ylideneethanimidamide

C7H13N3 — CID 138750606

IUPACN'-(2-aminoethenyl)-N-propan-2-ylideneethanimidamide
SMILESCC(C)=N/C(C)=N/C=CN
InChIInChI=1S/C7H13N3/c1-6(2)10-7(3)9-5-4-8/h4-5H,8H2,1-3H3/b5-4?,9-7+
InChIKeyYBSAGQWIECKGQG-VZUAUHPGSA-N
MW139.20 g/mol
LogP1.32
Rot. Bonds1

About N'-(2-aminoethenyl)-N-propan-2-ylideneethanimidamide

N'-(2-aminoethenyl)-N-propan-2-ylideneethanimidamide (PubChem CID 138750606) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N'-(2-aminoethenyl)-N-propan-2-ylideneethanimidamide.

Molecular Properties

Compound NameN'-(2-aminoethenyl)-N-propan-2-ylideneethanimidamide
PubChem CID138750606
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN'-(2-aminoethenyl)-N-propan-2-ylideneethanimidamide
SMILESCC(C)=N/C(C)=N/C=CN
InChIInChI=1S/C7H13N3/c1-6(2)10-7(3)9-5-4-8/h4-5H,8H2,1-3H3/b5-4?,9-7+
InChIKeyYBSAGQWIECKGQG-VZUAUHPGSA-N
XLogP1.32
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.32
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethenyl)-N-propan-2-ylideneethanimidamide?
The IUPAC name of N'-(2-aminoethenyl)-N-propan-2-ylideneethanimidamide (CID 138750606) is N'-(2-aminoethenyl)-N-propan-2-ylideneethanimidamide.
What is the SMILES notation for N'-(2-aminoethenyl)-N-propan-2-ylideneethanimidamide?
The canonical SMILES for N'-(2-aminoethenyl)-N-propan-2-ylideneethanimidamide is CC(C)=N/C(C)=N/C=CN.
What is the InChIKey of N'-(2-aminoethenyl)-N-propan-2-ylideneethanimidamide?
The InChIKey is YBSAGQWIECKGQG-VZUAUHPGSA-N. The full InChI is InChI=1S/C7H13N3/c1-6(2)10-7(3)9-5-4-8/h4-5H,8H2,1-3H3/b5-4?,9-7+.
What are the key properties of N'-(2-aminoethenyl)-N-propan-2-ylideneethanimidamide?
N'-(2-aminoethenyl)-N-propan-2-ylideneethanimidamide has a molecular weight of 139.20 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethenyl)-N-propan-2-ylideneethanimidamide is sourced from PubChem (CID 138750606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).