1-N',3-N'-diethyl-2-methylidenepropanediimidamide

C8H16N4 — CID 163714430

IUPAC1-N',3-N'-diethyl-2-methylidenepropanediimidamide
SMILESC=C(/C(N)=N/CC)/C(N)=N/CC
InChIInChI=1S/C8H16N4/c1-4-11-7(9)6(3)8(10)12-5-2/h3-5H2,1-2H3,(H2,9,11)(H2,10,12)
InChIKeyKMCISXVJLKYXBQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.30
Rot. Bonds4

About 1-N',3-N'-diethyl-2-methylidenepropanediimidamide

1-N',3-N'-diethyl-2-methylidenepropanediimidamide (PubChem CID 163714430) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-N',3-N'-diethyl-2-methylidenepropanediimidamide.

Molecular Properties

Compound Name1-N',3-N'-diethyl-2-methylidenepropanediimidamide
PubChem CID163714430
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name1-N',3-N'-diethyl-2-methylidenepropanediimidamide
SMILESC=C(/C(N)=N/CC)/C(N)=N/CC
InChIInChI=1S/C8H16N4/c1-4-11-7(9)6(3)8(10)12-5-2/h3-5H2,1-2H3,(H2,9,11)(H2,10,12)
InChIKeyKMCISXVJLKYXBQ-UHFFFAOYSA-N
XLogP0.30
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.30
H-Bond Donors ≤ 52
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 1-N',3-N'-diethyl-2-methylidenepropanediimidamide?
The IUPAC name of 1-N',3-N'-diethyl-2-methylidenepropanediimidamide (CID 163714430) is 1-N',3-N'-diethyl-2-methylidenepropanediimidamide.
What is the SMILES notation for 1-N',3-N'-diethyl-2-methylidenepropanediimidamide?
The canonical SMILES for 1-N',3-N'-diethyl-2-methylidenepropanediimidamide is C=C(/C(N)=N/CC)/C(N)=N/CC.
What is the InChIKey of 1-N',3-N'-diethyl-2-methylidenepropanediimidamide?
The InChIKey is KMCISXVJLKYXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-4-11-7(9)6(3)8(10)12-5-2/h3-5H2,1-2H3,(H2,9,11)(H2,10,12).
What are the key properties of 1-N',3-N'-diethyl-2-methylidenepropanediimidamide?
1-N',3-N'-diethyl-2-methylidenepropanediimidamide has a molecular weight of 168.24 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',3-N'-diethyl-2-methylidenepropanediimidamide is sourced from PubChem (CID 163714430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).