(Z)-3-N-methylidenepent-2-ene-1,3-diimine;propane

C9H18N2 — CID 145278570

IUPAC(Z)-3-N-methylidenepent-2-ene-1,3-diimine;propane
SMILESCCC.[H]/N=C/C=C(/CC)N=C
InChIInChI=1S/C6H10N2.C3H8/c1-3-6(8-2)4-5-7;1-3-2/h4-5,7H,2-3H2,1H3;3H2,1-2H3/b6-4-,7-5+;
InChIKeyWWBKGGFYFOVUOB-ZMVRXXEHSA-N
MW154.26 g/mol
LogP3.05
Rot. Bonds3

About (Z)-3-N-methylidenepent-2-ene-1,3-diimine;propane

(Z)-3-N-methylidenepent-2-ene-1,3-diimine;propane (PubChem CID 145278570) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (Z)-3-N-methylidenepent-2-ene-1,3-diimine;propane.

Molecular Properties

Compound Name(Z)-3-N-methylidenepent-2-ene-1,3-diimine;propane
PubChem CID145278570
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(Z)-3-N-methylidenepent-2-ene-1,3-diimine;propane
SMILESCCC.[H]/N=C/C=C(/CC)N=C
InChIInChI=1S/C6H10N2.C3H8/c1-3-6(8-2)4-5-7;1-3-2/h4-5,7H,2-3H2,1H3;3H2,1-2H3/b6-4-,7-5+;
InChIKeyWWBKGGFYFOVUOB-ZMVRXXEHSA-N
XLogP3.05
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 53.05
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

Dihydropyridin-4(1h)-imine
CID 19906283
4-Fluoro-1-methyliminopent-2-en-3-amine
CID 173565633
1-(2-Fluoropropylimino)-4-methylpent-2-en-3-amine
CID 173933086
1-(2-Fluoro-3-methylbut-3-enyl)imino-4-methylpent-2-en-3-amine
CID 173933091
(Z)-1-tert-butyliminopent-2-en-3-amine
CID 10986475
N-pent-2-en-3-ylethanimine
CID 20761973
2,3-Dihydropyridin-5-amine
CID 54086038
(2E)-2-ethylidene-N-methylpyridin-3-imine
CID 68010674
2-ethylidene-N-methylpyridin-3-imine
CID 77385875
(Z)-N-methyl-1-methyliminohex-2-en-3-amine
CID 88953346
(Z)-3-(ethylideneamino)pent-3-en-1-amine
CID 89028862
N-[(Z)-pent-2-en-3-yl]ethanimine
CID 89115805

Frequently Asked Questions

What is the IUPAC name of (Z)-3-N-methylidenepent-2-ene-1,3-diimine;propane?
The IUPAC name of (Z)-3-N-methylidenepent-2-ene-1,3-diimine;propane (CID 145278570) is (Z)-3-N-methylidenepent-2-ene-1,3-diimine;propane.
What is the SMILES notation for (Z)-3-N-methylidenepent-2-ene-1,3-diimine;propane?
The canonical SMILES for (Z)-3-N-methylidenepent-2-ene-1,3-diimine;propane is CCC.[H]/N=C/C=C(/CC)N=C.
What is the InChIKey of (Z)-3-N-methylidenepent-2-ene-1,3-diimine;propane?
The InChIKey is WWBKGGFYFOVUOB-ZMVRXXEHSA-N. The full InChI is InChI=1S/C6H10N2.C3H8/c1-3-6(8-2)4-5-7;1-3-2/h4-5,7H,2-3H2,1H3;3H2,1-2H3/b6-4-,7-5+;.
What are the key properties of (Z)-3-N-methylidenepent-2-ene-1,3-diimine;propane?
(Z)-3-N-methylidenepent-2-ene-1,3-diimine;propane has a molecular weight of 154.26 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-N-methylidenepent-2-ene-1,3-diimine;propane is sourced from PubChem (CID 145278570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).