N-ethyl-3-methylidenehepta-4,6-dien-2-imine

C10H15N — CID 123979704

IUPACN-ethyl-3-methylidenehepta-4,6-dien-2-imine
SMILESC=CC=CC(=C)/C(C)=N/CC
InChIInChI=1S/C10H15N/c1-5-7-8-9(3)10(4)11-6-2/h5,7-8H,1,3,6H2,2,4H3/b8-7?,11-10+
InChIKeyCLOLOFBLKGJOEX-FLZOFNJXSA-N
MW149.24 g/mol
LogP2.77
Rot. Bonds4

About N-ethyl-3-methylidenehepta-4,6-dien-2-imine

N-ethyl-3-methylidenehepta-4,6-dien-2-imine (PubChem CID 123979704) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-ethyl-3-methylidenehepta-4,6-dien-2-imine.

Molecular Properties

Compound NameN-ethyl-3-methylidenehepta-4,6-dien-2-imine
PubChem CID123979704
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-ethyl-3-methylidenehepta-4,6-dien-2-imine
SMILESC=CC=CC(=C)/C(C)=N/CC
InChIInChI=1S/C10H15N/c1-5-7-8-9(3)10(4)11-6-2/h5,7-8H,1,3,6H2,2,4H3/b8-7?,11-10+
InChIKeyCLOLOFBLKGJOEX-FLZOFNJXSA-N
XLogP2.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.77
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'}

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Related Compounds

[(3Z)-hexa-1,3,5-trien-2-yl] N-ethylethanimidate
CID 130278986
6-methyl-5-methylidenehepta-1,3,6-triene
CID 54100301
(3Z,7Z,11Z)-2-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
CID 143476273
(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;methane
CID 156726265
ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene
CID 145268478
(5Z)-4-methylideneocta-5,7-dien-3-ol
CID 143759474
(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
CID 142516353
(3Z)-5-ethyl-6-methylhepta-1,3,5-triene
CID 143033929
benzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane
CID 164901853
(3Z,7Z)-2,3-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane
CID 145064081
(3Z)-7-methyl-5-methylideneocta-1,3,7-triene
CID 142221683
5-methylocta-1,3,5-triene
CID 123706098

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methylidenehepta-4,6-dien-2-imine?
The IUPAC name of N-ethyl-3-methylidenehepta-4,6-dien-2-imine (CID 123979704) is N-ethyl-3-methylidenehepta-4,6-dien-2-imine.
What is the SMILES notation for N-ethyl-3-methylidenehepta-4,6-dien-2-imine?
The canonical SMILES for N-ethyl-3-methylidenehepta-4,6-dien-2-imine is C=CC=CC(=C)/C(C)=N/CC.
What is the InChIKey of N-ethyl-3-methylidenehepta-4,6-dien-2-imine?
The InChIKey is CLOLOFBLKGJOEX-FLZOFNJXSA-N. The full InChI is InChI=1S/C10H15N/c1-5-7-8-9(3)10(4)11-6-2/h5,7-8H,1,3,6H2,2,4H3/b8-7?,11-10+.
What are the key properties of N-ethyl-3-methylidenehepta-4,6-dien-2-imine?
N-ethyl-3-methylidenehepta-4,6-dien-2-imine has a molecular weight of 149.24 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methylidenehepta-4,6-dien-2-imine is sourced from PubChem (CID 123979704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).