ethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine

C11H23N — CID 143747590

IUPACethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C(C)/C=C\C.CC.CC
InChIInChI=1S/C7H11N.2C2H6/c1-4-5-7(2)6-8-3;2*1-2/h4-6H,3H2,1-2H3;2*1-2H3/b5-4-,7-6+;;
InChIKeyVXHYKOLFZNBQTN-NBTOHIFCSA-N
MW169.31 g/mol
LogP4.22
Rot. Bonds2

About ethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine

ethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine (PubChem CID 143747590) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is ethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine.

Molecular Properties

Compound Nameethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine
PubChem CID143747590
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Nameethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C(C)/C=C\C.CC.CC
InChIInChI=1S/C7H11N.2C2H6/c1-4-5-7(2)6-8-3;2*1-2/h4-6H,3H2,1-2H3;2*1-2H3/b5-4-,7-6+;;
InChIKeyVXHYKOLFZNBQTN-NBTOHIFCSA-N
XLogP4.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1Z,3E)-2-methylpenta-1,3-dienyl]methanimine
CID 89119181
ethane;(2Z,4Z)-3-methylhexa-2,4-diene;prop-1-ene
CID 142046723
(Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene
CID 142057667
(1Z,4Z)-1-(methylideneamino)-3-propan-2-ylidenehexa-1,4-diene-2-thiol
CID 167066070
ethane;(Z)-2-methyl-N'-methylideneprop-2-ene-1,3-diimine
CID 144508821
ethane;(3E,5Z)-4-methylhepta-1,3,5-trien-2-amine
CID 143375975
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
(4E)-4,6,6-trimethylhepta-2,4-diene
CID 177420463
methyl (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enoate
CID 175637730
trimethylsilyl N-(2-methylpenta-1,3-dienyl)ethanimidate
CID 91435960
(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine?
The IUPAC name of ethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine (CID 143747590) is ethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine.
What is the SMILES notation for ethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine?
The canonical SMILES for ethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine is C=N/C=C(C)/C=C\C.CC.CC.
What is the InChIKey of ethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine?
The InChIKey is VXHYKOLFZNBQTN-NBTOHIFCSA-N. The full InChI is InChI=1S/C7H11N.2C2H6/c1-4-5-7(2)6-8-3;2*1-2/h4-6H,3H2,1-2H3;2*1-2H3/b5-4-,7-6+;;.
What are the key properties of ethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine?
ethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine has a molecular weight of 169.31 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine is sourced from PubChem (CID 143747590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).