N-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]ethanimine

C10H15N — CID 146259127

IUPACN-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]ethanimine
SMILESC=C/C=C(C)\C(=C/C)\N=C\C
InChIInChI=1S/C10H15N/c1-5-8-9(4)10(6-2)11-7-3/h5-8H,1H2,2-4H3/b9-8-,10-6+,11-7+
InChIKeyZMRLZFXAYLXNPQ-BTIBOPHBSA-N
MW149.24 g/mol
LogP3.11
Rot. Bonds3

About N-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]ethanimine

N-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]ethanimine (PubChem CID 146259127) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]ethanimine.

Molecular Properties

Compound NameN-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]ethanimine
PubChem CID146259127
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]ethanimine
SMILESC=C/C=C(C)\C(=C/C)\N=C\C
InChIInChI=1S/C10H15N/c1-5-8-9(4)10(6-2)11-7-3/h5-8H,1H2,2-4H3/b9-8-,10-6+,11-7+
InChIKeyZMRLZFXAYLXNPQ-BTIBOPHBSA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.11
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

(Z)-N-[(1E)-1-bromobuta-1,3-dienyl]ethanimine;ethane
CID 143004877
(3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane
CID 143254400
(1Z)-1-[(Z)-ethylideneamino]-N,N-dimethylbuta-1,3-dien-1-amine
CID 143834984
(3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane
CID 156821319
(3Z,5E)-4-methyl-5-nitrohepta-1,3,5-triene
CID 143929994
N-ethylidenehydroxylamine
CID 157067638
(3E,5E,7E)-4,5,6-trimethylnona-1,3,5,7-tetraene
CID 21336128
(2Z)-N-[2-(dimethylamino)ethyl]-2-(ethylideneamino)penta-2,4-dienamide
CID 156869327
ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene
CID 143773751
(3E,5Z)-5-methyl-N-(methylideneamino)octa-1,3,5,7-tetraen-4-amine
CID 166800420
N-ethylidenehydroxylamine;nickel
CID 157374341
N-ethylidenehydroxylamine;sulfane
CID 174747944

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]ethanimine?
The IUPAC name of N-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]ethanimine (CID 146259127) is N-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]ethanimine.
What is the SMILES notation for N-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]ethanimine?
The canonical SMILES for N-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]ethanimine is C=C/C=C(C)\C(=C/C)\N=C\C.
What is the InChIKey of N-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]ethanimine?
The InChIKey is ZMRLZFXAYLXNPQ-BTIBOPHBSA-N. The full InChI is InChI=1S/C10H15N/c1-5-8-9(4)10(6-2)11-7-3/h5-8H,1H2,2-4H3/b9-8-,10-6+,11-7+.
What are the key properties of N-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]ethanimine?
N-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]ethanimine has a molecular weight of 149.24 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]ethanimine is sourced from PubChem (CID 146259127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).