(2Z)-2-ethylidene-3-N-methylpentane-1,3-diimine

C8H14N2 — CID 123743575

IUPAC(2Z)-2-ethylidene-3-N-methylpentane-1,3-diimine
SMILES[H]/N=C/C(=C/C)/C(CC)=N/C
InChIInChI=1S/C8H14N2/c1-4-7(6-9)8(5-2)10-3/h4,6,9H,5H2,1-3H3/b7-4-,9-6+,10-8+
InChIKeyGAQXGPJLSOYBQB-CAFRVPCPSA-N
MW138.21 g/mol
LogP2.06
Rot. Bonds3

About (2Z)-2-ethylidene-3-N-methylpentane-1,3-diimine

(2Z)-2-ethylidene-3-N-methylpentane-1,3-diimine (PubChem CID 123743575) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (2Z)-2-ethylidene-3-N-methylpentane-1,3-diimine.

Molecular Properties

Compound Name(2Z)-2-ethylidene-3-N-methylpentane-1,3-diimine
PubChem CID123743575
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(2Z)-2-ethylidene-3-N-methylpentane-1,3-diimine
SMILES[H]/N=C/C(=C/C)/C(CC)=N/C
InChIInChI=1S/C8H14N2/c1-4-7(6-9)8(5-2)10-3/h4,6,9H,5H2,1-3H3/b7-4-,9-6+,10-8+
InChIKeyGAQXGPJLSOYBQB-CAFRVPCPSA-N
XLogP2.06
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.06
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

[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine
CID 118719543
(E)-5-fluoro-2-methylidenehex-4-ene-1,3-diimine
CID 123197329
(E,2Z,3E)-5-(1,1-difluoroethyl)-2,3-di(ethylidene)-1-N-methylhept-4-ene-1,6-diimine
CID 143763245
[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine
CID 172018331
1-(2-Ethylpyrrol-2-yl)ethanimine
CID 57211117
(E)-3-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylprop-2-en-1-amine
CID 69247064
N,3-dimethylhex-2-en-1-imine
CID 73829296
(Z)-3-methylpent-2-ene-1,4-diimine
CID 87688718
(Z)-5-methyl-3-propan-2-ylhex-2-ene-1,4-diimine
CID 88583469
(Z)-2-methylpent-2-ene-1,4-diimine
CID 88986015
2-methyl-3,4-dihydro-2H-pyridazino[4,5-b]azepine
CID 89129881
(Z)-2-ethyl-N,N'-dimethylbut-2-ene-1,4-diimine
CID 89370186

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethylidene-3-N-methylpentane-1,3-diimine?
The IUPAC name of (2Z)-2-ethylidene-3-N-methylpentane-1,3-diimine (CID 123743575) is (2Z)-2-ethylidene-3-N-methylpentane-1,3-diimine.
What is the SMILES notation for (2Z)-2-ethylidene-3-N-methylpentane-1,3-diimine?
The canonical SMILES for (2Z)-2-ethylidene-3-N-methylpentane-1,3-diimine is [H]/N=C/C(=C/C)/C(CC)=N/C.
What is the InChIKey of (2Z)-2-ethylidene-3-N-methylpentane-1,3-diimine?
The InChIKey is GAQXGPJLSOYBQB-CAFRVPCPSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-7(6-9)8(5-2)10-3/h4,6,9H,5H2,1-3H3/b7-4-,9-6+,10-8+.
What are the key properties of (2Z)-2-ethylidene-3-N-methylpentane-1,3-diimine?
(2Z)-2-ethylidene-3-N-methylpentane-1,3-diimine has a molecular weight of 138.21 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylidene-3-N-methylpentane-1,3-diimine is sourced from PubChem (CID 123743575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).