(Z)-1-N-methylidenepent-1-ene-1,3-diimine

C6H10N2 — CID 123876003

IUPAC(Z)-1-N-methylidenepent-1-ene-1,3-diimine
SMILES[H]/N=C(/C=C\N=C)CC
InChIInChI=1S/C6H10N2/c1-3-6(7)4-5-8-2/h4-5,7H,2-3H2,1H3/b5-4-,7-6+
InChIKeyRBMIGYOTAXUEIU-SCFJQAPRSA-N
MW110.16 g/mol
LogP1.63
Rot. Bonds3

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

(Z)-1-N-methylidenepent-1-ene-1,3-diimine (PubChem CID 123876003) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (Z)-1-N-methylidenepent-1-ene-1,3-diimine.

Molecular Properties

Compound Name(Z)-1-N-methylidenepent-1-ene-1,3-diimine
PubChem CID123876003
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(Z)-1-N-methylidenepent-1-ene-1,3-diimine
SMILES[H]/N=C(/C=C\N=C)CC
InChIInChI=1S/C6H10N2/c1-3-6(7)4-5-8-2/h4-5,7H,2-3H2,1H3/b5-4-,7-6+
InChIKeyRBMIGYOTAXUEIU-SCFJQAPRSA-N
XLogP1.63
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

4-Iminopyridine
CID 21297554
Pyridine-3,4-diimine
CID 22022782
Pyrrol-3-imine
CID 90911343
(Z)-3-(2,2-difluoroethylimino)pent-1-en-1-amine
CID 168936282
4-Amino-2-methyliminobut-3-enimidoyl fluoride
CID 174114701
Bis(imino)pyridyl aluminum hydride
CID 156024930
N-methyl-3H-pyridin-4-imine
CID 20520378
N-propyl-3H-pyridin-4-imine
CID 20520388
4H-pyridin-3-imine
CID 21297587
2-[[(Z)-4-aminobut-3-en-2-ylidene]amino]acetonitrile
CID 59932316
N-methyl-4H-pyridin-3-imine
CID 67496115
2-Methylpyridine-3,4-diimine
CID 68113813

Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-methylidenepent-1-ene-1,3-diimine?
The IUPAC name of (Z)-1-N-methylidenepent-1-ene-1,3-diimine (CID 123876003) is (Z)-1-N-methylidenepent-1-ene-1,3-diimine.
What is the SMILES notation for (Z)-1-N-methylidenepent-1-ene-1,3-diimine?
The canonical SMILES for (Z)-1-N-methylidenepent-1-ene-1,3-diimine is [H]/N=C(/C=C\N=C)CC.
What is the InChIKey of (Z)-1-N-methylidenepent-1-ene-1,3-diimine?
The InChIKey is RBMIGYOTAXUEIU-SCFJQAPRSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-6(7)4-5-8-2/h4-5,7H,2-3H2,1H3/b5-4-,7-6+.
What are the key properties of (Z)-1-N-methylidenepent-1-ene-1,3-diimine?
(Z)-1-N-methylidenepent-1-ene-1,3-diimine has a molecular weight of 110.16 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-methylidenepent-1-ene-1,3-diimine is sourced from PubChem (CID 123876003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).