N-[(2Z,4Z)-3,4,7-trimethyl-6-methylideneocta-2,4,7-trienyl]ethanimine

C14H21N — CID 126727778

IUPACN-[(2Z,4Z)-3,4,7-trimethyl-6-methylideneocta-2,4,7-trienyl]ethanimine
SMILESC=C(C)C(=C)/C=C(C)\C(C)=C/C/N=C/C
InChIInChI=1S/C14H21N/c1-7-15-9-8-12(4)14(6)10-13(5)11(2)3/h7-8,10H,2,5,9H2,1,3-4,6H3/b12-8-,14-10-,15-7+
InChIKeyQWYRBPPUKONNGO-YPPSAFIESA-N
MW203.33 g/mol
LogP4.10
Rot. Bonds5

About N-[(2Z,4Z)-3,4,7-trimethyl-6-methylideneocta-2,4,7-trienyl]ethanimine

N-[(2Z,4Z)-3,4,7-trimethyl-6-methylideneocta-2,4,7-trienyl]ethanimine (PubChem CID 126727778) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-[(2Z,4Z)-3,4,7-trimethyl-6-methylideneocta-2,4,7-trienyl]ethanimine.

Molecular Properties

Compound NameN-[(2Z,4Z)-3,4,7-trimethyl-6-methylideneocta-2,4,7-trienyl]ethanimine
PubChem CID126727778
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-[(2Z,4Z)-3,4,7-trimethyl-6-methylideneocta-2,4,7-trienyl]ethanimine
SMILESC=C(C)C(=C)/C=C(C)\C(C)=C/C/N=C/C
InChIInChI=1S/C14H21N/c1-7-15-9-8-12(4)14(6)10-13(5)11(2)3/h7-8,10H,2,5,9H2,1,3-4,6H3/b12-8-,14-10-,15-7+
InChIKeyQWYRBPPUKONNGO-YPPSAFIESA-N
XLogP4.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.10
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

(3E)-3,6-dimethyl-5-methylidenehepta-3,6-dien-2-one
CID 143344295
3-methyl-2-methylidene-N-prop-1-en-2-ylbut-3-en-1-imine
CID 143965709
(3E)-3-chloro-6-methyl-5-methylidenehepta-1,3,6-triene
CID 142076420
N-[2-(methyl-λ3-iodanylidene)ethyl]ethanimine
CID 147234232
(3E,4E)-3-ethylidene-4-methylhepta-1,4-diene
CID 143688525
ethane;(5Z,7Z)-2,5,7-trimethyl-4-methylidenedeca-2,5,7-triene
CID 172595101
(4E)-4-fluoro-7-methyl-3,6-dimethylideneocta-4,7-dien-1-ol
CID 144980618
(3E)-6-methyl-2,5-dimethylidene-3-methylsulfanylhepta-3,6-dien-1-ol
CID 144804148
(3Z,5Z)-4-methylhepta-1,3,5-triene-2,5-diol
CID 122535316
(Z)-3-methyl-N-prop-1-en-2-ylpent-3-en-2-imine
CID 142024841
(3Z,5Z)-2-chloro-4,5-dimethylhepta-1,3,5-triene
CID 143318485
6-methyl-5-methylidenehepta-1,3,6-triene
CID 54100301

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-3,4,7-trimethyl-6-methylideneocta-2,4,7-trienyl]ethanimine?
The IUPAC name of N-[(2Z,4Z)-3,4,7-trimethyl-6-methylideneocta-2,4,7-trienyl]ethanimine (CID 126727778) is N-[(2Z,4Z)-3,4,7-trimethyl-6-methylideneocta-2,4,7-trienyl]ethanimine.
What is the SMILES notation for N-[(2Z,4Z)-3,4,7-trimethyl-6-methylideneocta-2,4,7-trienyl]ethanimine?
The canonical SMILES for N-[(2Z,4Z)-3,4,7-trimethyl-6-methylideneocta-2,4,7-trienyl]ethanimine is C=C(C)C(=C)/C=C(C)\C(C)=C/C/N=C/C.
What is the InChIKey of N-[(2Z,4Z)-3,4,7-trimethyl-6-methylideneocta-2,4,7-trienyl]ethanimine?
The InChIKey is QWYRBPPUKONNGO-YPPSAFIESA-N. The full InChI is InChI=1S/C14H21N/c1-7-15-9-8-12(4)14(6)10-13(5)11(2)3/h7-8,10H,2,5,9H2,1,3-4,6H3/b12-8-,14-10-,15-7+.
What are the key properties of N-[(2Z,4Z)-3,4,7-trimethyl-6-methylideneocta-2,4,7-trienyl]ethanimine?
N-[(2Z,4Z)-3,4,7-trimethyl-6-methylideneocta-2,4,7-trienyl]ethanimine has a molecular weight of 203.33 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-3,4,7-trimethyl-6-methylideneocta-2,4,7-trienyl]ethanimine is sourced from PubChem (CID 126727778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).