(Z)-1-N-methylpent-3-ene-1,2-diimine

C6H10N2 — CID 123260157

IUPAC(Z)-1-N-methylpent-3-ene-1,2-diimine
SMILES[H]/N=C(\C=C/C)/C=N/C
InChIInChI=1S/C6H10N2/c1-3-4-6(7)5-8-2/h3-5,7H,1-2H3/b4-3-,7-6+,8-5+
InChIKeyKIHYUFSICFQUQA-PEHJDXBOSA-N
MW110.16 g/mol
LogP1.28
Rot. Bonds2

About (Z)-1-N-methylpent-3-ene-1,2-diimine

(Z)-1-N-methylpent-3-ene-1,2-diimine (PubChem CID 123260157) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (Z)-1-N-methylpent-3-ene-1,2-diimine.

Molecular Properties

Compound Name(Z)-1-N-methylpent-3-ene-1,2-diimine
PubChem CID123260157
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(Z)-1-N-methylpent-3-ene-1,2-diimine
SMILES[H]/N=C(\C=C/C)/C=N/C
InChIInChI=1S/C6H10N2/c1-3-4-6(7)5-8-2/h3-5,7H,1-2H3/b4-3-,7-6+,8-5+
InChIKeyKIHYUFSICFQUQA-PEHJDXBOSA-N
XLogP1.28
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 ≤ 51.28
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

N-butyl-2H-pyridin-3-imine
CID 19388629
3-Iminopyridine
CID 21332821
Pent-2-ene-1,5-diimine
CID 53718158
2-Methylpyrrol-2-amine
CID 57074855
2,6-Dihydroazepin-3-imine
CID 57316147
(Z)-pent-2-ene-1,4-diimine
CID 59089718
N-propan-2-yl-2H-pyridin-3-imine
CID 69530945
4-N-methylcyclohexa-2,5-diene-1,4-diimine
CID 70148626
2,3-Dihydropyridin-6-ylmethanamine
CID 70426662
N-methyl-2H-pyridin-3-imine
CID 70547200
N,N'-dimethylpent-2-ene-1,5-diimine
CID 85959556
N-(3-pyridylidene)-ethylamine
CID 86750054

Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-methylpent-3-ene-1,2-diimine?
The IUPAC name of (Z)-1-N-methylpent-3-ene-1,2-diimine (CID 123260157) is (Z)-1-N-methylpent-3-ene-1,2-diimine.
What is the SMILES notation for (Z)-1-N-methylpent-3-ene-1,2-diimine?
The canonical SMILES for (Z)-1-N-methylpent-3-ene-1,2-diimine is [H]/N=C(\C=C/C)/C=N/C.
What is the InChIKey of (Z)-1-N-methylpent-3-ene-1,2-diimine?
The InChIKey is KIHYUFSICFQUQA-PEHJDXBOSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-4-6(7)5-8-2/h3-5,7H,1-2H3/b4-3-,7-6+,8-5+.
What are the key properties of (Z)-1-N-methylpent-3-ene-1,2-diimine?
(Z)-1-N-methylpent-3-ene-1,2-diimine has a molecular weight of 110.16 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-methylpent-3-ene-1,2-diimine is sourced from PubChem (CID 123260157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).