2-N-[(Z)-prop-1-enyl]propane-1,2-diimine

C6H10N2 — CID 88539325

IUPAC2-N-[(Z)-prop-1-enyl]propane-1,2-diimine
SMILES[H]/N=C/C(C)=N/C=C\C
InChIInChI=1S/C6H10N2/c1-3-4-8-6(2)5-7/h3-5,7H,1-2H3/b4-3-,7-5+,8-6+
InChIKeyIOHMZSHAMSDVCY-MBAZBMQQSA-N
MW110.16 g/mol
LogP1.63
Rot. Bonds2

About 2-N-[(Z)-prop-1-enyl]propane-1,2-diimine

2-N-[(Z)-prop-1-enyl]propane-1,2-diimine (PubChem CID 88539325) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-N-[(Z)-prop-1-enyl]propane-1,2-diimine.

Molecular Properties

Compound Name2-N-[(Z)-prop-1-enyl]propane-1,2-diimine
PubChem CID88539325
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name2-N-[(Z)-prop-1-enyl]propane-1,2-diimine
SMILES[H]/N=C/C(C)=N/C=C\C
InChIInChI=1S/C6H10N2/c1-3-4-8-6(2)5-7/h3-5,7H,1-2H3/b4-3-,7-5+,8-6+
InChIKeyIOHMZSHAMSDVCY-MBAZBMQQSA-N
XLogP1.63
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(1E)-N-(Prop-1-en-1-yl)propan-1-imine
CID 54113889
N-[(Z)-prop-1-enyl]butan-2-imine
CID 11126202
N-[(E)-prop-1-enyl]propan-1-imine
CID 12603153
4H-pyridin-3-imine
CID 21297587
(Z)-3-methyliminoprop-1-en-1-amine
CID 59122072
N-methyl-4H-pyridin-3-imine
CID 67496115
(2E)-N-(Prop-1-en-1-yl)butan-2-imine
CID 71349500
3-Methyliminoprop-1-en-1-amine
CID 72522918
N-[(E)-prop-1-enyl]butan-2-imine
CID 87071406
(Z)-3-prop-1-en-2-yliminoprop-1-en-1-amine
CID 88236263
(Z)-N-[(E)-3-iminoprop-1-enyl]but-2-en-1-imine
CID 88875316
(Z)-2-(prop-2-enylideneamino)prop-1-en-1-amine
CID 88885354

Frequently Asked Questions

What is the IUPAC name of 2-N-[(Z)-prop-1-enyl]propane-1,2-diimine?
The IUPAC name of 2-N-[(Z)-prop-1-enyl]propane-1,2-diimine (CID 88539325) is 2-N-[(Z)-prop-1-enyl]propane-1,2-diimine.
What is the SMILES notation for 2-N-[(Z)-prop-1-enyl]propane-1,2-diimine?
The canonical SMILES for 2-N-[(Z)-prop-1-enyl]propane-1,2-diimine is [H]/N=C/C(C)=N/C=C\C.
What is the InChIKey of 2-N-[(Z)-prop-1-enyl]propane-1,2-diimine?
The InChIKey is IOHMZSHAMSDVCY-MBAZBMQQSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-4-8-6(2)5-7/h3-5,7H,1-2H3/b4-3-,7-5+,8-6+.
What are the key properties of 2-N-[(Z)-prop-1-enyl]propane-1,2-diimine?
2-N-[(Z)-prop-1-enyl]propane-1,2-diimine has a molecular weight of 110.16 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(Z)-prop-1-enyl]propane-1,2-diimine is sourced from PubChem (CID 88539325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).