ethene;N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimine

C11H17N — CID 144545920

IUPACethene;N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimine
SMILESC=C.C=C/C=C\C(N=C)=C(C)C
InChIInChI=1S/C9H13N.C2H4/c1-5-6-7-9(10-4)8(2)3;1-2/h5-7H,1,4H2,2-3H3;1-2H2/b7-6-;
InChIKeyAFFZVCAUOATJMC-NAFXZHHSSA-N
MW163.26 g/mol
LogP3.53
Rot. Bonds3

About ethene;N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimine

ethene;N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimine (PubChem CID 144545920) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is ethene;N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimine.

Molecular Properties

Compound Nameethene;N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimine
PubChem CID144545920
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Nameethene;N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimine
SMILESC=C.C=C/C=C\C(N=C)=C(C)C
InChIInChI=1S/C9H13N.C2H4/c1-5-6-7-9(10-4)8(2)3;1-2/h5-7H,1,4H2,2-3H3;1-2H2/b7-6-;
InChIKeyAFFZVCAUOATJMC-NAFXZHHSSA-N
XLogP3.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(4E)-4-fluoro-2-methylhexa-2,4-dien-3-yl]methanimine
CID 163633243
N-penta-1,3-dien-2-ylmethanimine
CID 86063273
2-methyl-N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]prop-2-en-1-imine
CID 89426811
N-[(5Z)-4-[(Z)-prop-1-enyl]hepta-1,3,5-trien-3-yl]methanimine
CID 89502555
N-[(2Z)-5-methylhexa-2,4-dien-2-yl]methanimine
CID 89899366
N-[(3E)-penta-1,3-dien-2-yl]methanimine
CID 101767236
N-(5-ethenylocta-2,4,6-trien-4-yl)methanimine
CID 123154101
N-(5-methylhexa-2,4-dien-2-yl)methanimine
CID 123489897
N-(6-methylhepta-1,3,5-trien-2-yl)methanimine
CID 123592729
N-[(4Z)-2-methylhexa-2,4-dien-3-yl]ethanimine
CID 123631905
Methyl-(5-methylhexa-2,4-dien-2-yl)-methylideneazanium
CID 123695063
2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propan-1-imine
CID 123731652

Frequently Asked Questions

What is the IUPAC name of ethene;N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimine?
The IUPAC name of ethene;N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimine (CID 144545920) is ethene;N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimine.
What is the SMILES notation for ethene;N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimine?
The canonical SMILES for ethene;N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimine is C=C.C=C/C=C\C(N=C)=C(C)C.
What is the InChIKey of ethene;N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimine?
The InChIKey is AFFZVCAUOATJMC-NAFXZHHSSA-N. The full InChI is InChI=1S/C9H13N.C2H4/c1-5-6-7-9(10-4)8(2)3;1-2/h5-7H,1,4H2,2-3H3;1-2H2/b7-6-;.
What are the key properties of ethene;N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimine?
ethene;N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimine has a molecular weight of 163.26 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimine is sourced from PubChem (CID 144545920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).