N',2-dimethyl-3-(methylideneamino)but-2-enimidamide

C7H13N3 — CID 123981622

IUPACN',2-dimethyl-3-(methylideneamino)but-2-enimidamide
SMILESC=NC(C)=C(C)/C(N)=N/C
InChIInChI=1S/C7H13N3/c1-5(6(2)9-3)7(8)10-4/h3H2,1-2,4H3,(H2,8,10)
InChIKeyQSKFXVMHJPZMJX-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.97
Rot. Bonds2

About N',2-dimethyl-3-(methylideneamino)but-2-enimidamide

N',2-dimethyl-3-(methylideneamino)but-2-enimidamide (PubChem CID 123981622) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N',2-dimethyl-3-(methylideneamino)but-2-enimidamide.

Molecular Properties

Compound NameN',2-dimethyl-3-(methylideneamino)but-2-enimidamide
PubChem CID123981622
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN',2-dimethyl-3-(methylideneamino)but-2-enimidamide
SMILESC=NC(C)=C(C)/C(N)=N/C
InChIInChI=1S/C7H13N3/c1-5(6(2)9-3)7(8)10-4/h3H2,1-2,4H3,(H2,8,10)
InChIKeyQSKFXVMHJPZMJX-UHFFFAOYSA-N
XLogP0.97
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.97
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-dimethyl-3-(methylideneamino)but-2-enimidamide?
The IUPAC name of N',2-dimethyl-3-(methylideneamino)but-2-enimidamide (CID 123981622) is N',2-dimethyl-3-(methylideneamino)but-2-enimidamide.
What is the SMILES notation for N',2-dimethyl-3-(methylideneamino)but-2-enimidamide?
The canonical SMILES for N',2-dimethyl-3-(methylideneamino)but-2-enimidamide is C=NC(C)=C(C)/C(N)=N/C.
What is the InChIKey of N',2-dimethyl-3-(methylideneamino)but-2-enimidamide?
The InChIKey is QSKFXVMHJPZMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-5(6(2)9-3)7(8)10-4/h3H2,1-2,4H3,(H2,8,10).
What are the key properties of N',2-dimethyl-3-(methylideneamino)but-2-enimidamide?
N',2-dimethyl-3-(methylideneamino)but-2-enimidamide has a molecular weight of 139.20 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-3-(methylideneamino)but-2-enimidamide is sourced from PubChem (CID 123981622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).