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

C7H12N2 — CID 118671214

IUPAC1-N-methyl-2-N-[(Z)-prop-1-enyl]propane-1,2-diimine
SMILESC/C=C\N=C(C)\C=N\C
InChIInChI=1S/C7H12N2/c1-4-5-9-7(2)6-8-3/h4-6H,1-3H3/b5-4-,8-6+,9-7+
InChIKeySWHPNNLJQUCQNC-YJTPIVBQSA-N
MW124.19 g/mol
LogP1.68
Rot. Bonds2

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

1-N-methyl-2-N-[(Z)-prop-1-enyl]propane-1,2-diimine (PubChem CID 118671214) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-N-methyl-2-N-[(Z)-prop-1-enyl]propane-1,2-diimine.

Molecular Properties

Compound Name1-N-methyl-2-N-[(Z)-prop-1-enyl]propane-1,2-diimine
PubChem CID118671214
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-N-methyl-2-N-[(Z)-prop-1-enyl]propane-1,2-diimine
SMILESC/C=C\N=C(C)\C=N\C
InChIInChI=1S/C7H12N2/c1-4-5-9-7(2)6-8-3/h4-6H,1-3H3/b5-4-,8-6+,9-7+
InChIKeySWHPNNLJQUCQNC-YJTPIVBQSA-N
XLogP1.68
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[(E)-prop-1-enyl]pent-3-en-2-imine
CID 143911032
(Z)-4-[(Z)-prop-1-enyl]iminopent-2-en-2-amine
CID 88874705
2-N-ethenyl-1-N-[(Z)-prop-1-enyl]propane-1,2-diimine
CID 142072925
trimethyl-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]phosphanium
CID 170257532
3,4-dimethyl-N-[(Z)-prop-1-enyl]pent-3-en-2-imine
CID 143339603
N-[(Z)-prop-1-enyl]butan-2-imine
CID 11126202
methyl N-[(E)-prop-1-enyl]ethanimidate
CID 142215629
1,1,1-trifluoro-N-[(Z)-prop-1-enyl]propan-2-imine
CID 143380031
(2E,4Z,6E)-N,2-dimethylocta-2,4,6-trien-1-imine
CID 134195974
N-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]formamide
CID 136593314
3-N,4-N-bis[(Z)-prop-1-enyl]hexa-1,5-diene-3,4-diimine
CID 146342540
(E)-1-[(E)-prop-1-enyl]iminobut-2-en-2-amine
CID 174251744

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-2-N-[(Z)-prop-1-enyl]propane-1,2-diimine?
The IUPAC name of 1-N-methyl-2-N-[(Z)-prop-1-enyl]propane-1,2-diimine (CID 118671214) is 1-N-methyl-2-N-[(Z)-prop-1-enyl]propane-1,2-diimine.
What is the SMILES notation for 1-N-methyl-2-N-[(Z)-prop-1-enyl]propane-1,2-diimine?
The canonical SMILES for 1-N-methyl-2-N-[(Z)-prop-1-enyl]propane-1,2-diimine is C/C=C\N=C(C)\C=N\C.
What is the InChIKey of 1-N-methyl-2-N-[(Z)-prop-1-enyl]propane-1,2-diimine?
The InChIKey is SWHPNNLJQUCQNC-YJTPIVBQSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-5-9-7(2)6-8-3/h4-6H,1-3H3/b5-4-,8-6+,9-7+.
What are the key properties of 1-N-methyl-2-N-[(Z)-prop-1-enyl]propane-1,2-diimine?
1-N-methyl-2-N-[(Z)-prop-1-enyl]propane-1,2-diimine has a molecular weight of 124.19 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-2-N-[(Z)-prop-1-enyl]propane-1,2-diimine is sourced from PubChem (CID 118671214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).