ethane;(4Z)-N-methylhepta-1,4-dien-3-imine

C12H25N — CID 144693446

IUPACethane;(4Z)-N-methylhepta-1,4-dien-3-imine
SMILESC=CC(/C=C\CC)=N\C.CC.CC
InChIInChI=1S/C8H13N.2C2H6/c1-4-6-7-8(5-2)9-3;2*1-2/h5-7H,2,4H2,1,3H3;2*1-2H3/b7-6-,9-8+;;
InChIKeyNKJDMARMTDGCCZ-YDFFBLRRSA-N
MW183.34 g/mol
LogP4.26
Rot. Bonds3

About ethane;(4Z)-N-methylhepta-1,4-dien-3-imine

ethane;(4Z)-N-methylhepta-1,4-dien-3-imine (PubChem CID 144693446) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is ethane;(4Z)-N-methylhepta-1,4-dien-3-imine.

Molecular Properties

Compound Nameethane;(4Z)-N-methylhepta-1,4-dien-3-imine
PubChem CID144693446
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Nameethane;(4Z)-N-methylhepta-1,4-dien-3-imine
SMILESC=CC(/C=C\CC)=N\C.CC.CC
InChIInChI=1S/C8H13N.2C2H6/c1-4-6-7-8(5-2)9-3;2*1-2/h5-7H,2,4H2,1,3H3;2*1-2H3/b7-6-,9-8+;;
InChIKeyNKJDMARMTDGCCZ-YDFFBLRRSA-N
XLogP4.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
(Z)-N,2-dimethylhept-4-en-3-imine;ethane
CID 156795544
N-[(5Z)-3-ethenylocta-1,3,5-trien-4-yl]methanimine
CID 153398370
(3Z,5Z)-3,4-dichloroocta-1,3,5-triene
CID 88957230
ethane;(3Z,5E)-3-ethoxy-4-methoxyocta-1,3,5-triene
CID 165130327
(Z)-2-[(Z)-but-1-enyl]-3-ethenylbut-2-enedioic acid;ethane
CID 142315454
(Z)-N'-methyl-N-propylpent-2-enimidamide
CID 143709707
4-ethenyl-3-ethylocta-3,5-diene
CID 91004805
(3E,5Z)-3-methylocta-1,3,5-trien-4-amine
CID 88993026
(3E,5E)-4-ethenylocta-1,3,5-triene
CID 142003848
ethane;ethene;(3Z,5Z)-3-ethenyl-2,4-dimethylocta-1,3,5-triene
CID 145061785
2-[(Z)-but-1-enyl]-N-methylhexa-2,3,5-trien-1-imine;ethane
CID 143104199

Frequently Asked Questions

What is the IUPAC name of ethane;(4Z)-N-methylhepta-1,4-dien-3-imine?
The IUPAC name of ethane;(4Z)-N-methylhepta-1,4-dien-3-imine (CID 144693446) is ethane;(4Z)-N-methylhepta-1,4-dien-3-imine.
What is the SMILES notation for ethane;(4Z)-N-methylhepta-1,4-dien-3-imine?
The canonical SMILES for ethane;(4Z)-N-methylhepta-1,4-dien-3-imine is C=CC(/C=C\CC)=N\C.CC.CC.
What is the InChIKey of ethane;(4Z)-N-methylhepta-1,4-dien-3-imine?
The InChIKey is NKJDMARMTDGCCZ-YDFFBLRRSA-N. The full InChI is InChI=1S/C8H13N.2C2H6/c1-4-6-7-8(5-2)9-3;2*1-2/h5-7H,2,4H2,1,3H3;2*1-2H3/b7-6-,9-8+;;.
What are the key properties of ethane;(4Z)-N-methylhepta-1,4-dien-3-imine?
ethane;(4Z)-N-methylhepta-1,4-dien-3-imine has a molecular weight of 183.34 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z)-N-methylhepta-1,4-dien-3-imine is sourced from PubChem (CID 144693446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).