(2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine;ethane

C16H29N — CID 143393387

IUPAC(2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine;ethane
SMILESC=C/C=C(C)\C(/C=N/C(C)(C)C)=C/CC.CC
InChIInChI=1S/C14H23N.C2H6/c1-7-9-12(3)13(10-8-2)11-15-14(4,5)6;1-2/h7,9-11H,1,8H2,2-6H3;1-2H3/b12-9-,13-10-,15-11+;
InChIKeyMDJORVORHYZTQF-XSNPPGFOSA-N
MW235.41 g/mol
LogP5.35
Rot. Bonds4

About (2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine;ethane

(2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine;ethane (PubChem CID 143393387) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is (2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine;ethane.

Molecular Properties

Compound Name(2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine;ethane
PubChem CID143393387
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name(2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine;ethane
SMILESC=C/C=C(C)\C(/C=N/C(C)(C)C)=C/CC.CC
InChIInChI=1S/C14H23N.C2H6/c1-7-9-12(3)13(10-8-2)11-15-14(4,5)6;1-2/h7,9-11H,1,8H2,2-6H3;1-2H3/b12-9-,13-10-,15-11+;
InChIKeyMDJORVORHYZTQF-XSNPPGFOSA-N
XLogP5.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.41
LogP ≤ 55.35
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

(2E,4Z)-N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-imine
CID 144102746
N-[(3Z,5Z)-4-fluoro-3-methylocta-3,5-dienyl]-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine
CID 174262416
(E)-N-tert-butyl-2-methylpent-2-en-1-imine
CID 10582977
bis(N-tert-butyl-1-phenylmethanimine);bis(chloropalladium(1+))
CID 13005103
bis(N-tert-butyl-1-(4-methylbenzene-6-id-1-yl)methanimine);bis(chloropalladium(1+))
CID 13005105
lithium N-tert-butyl-1-[3-(tert-butyliminomethyl)benzene-2-id-1-yl]methanimine
CID 138967381
(2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine
CID 143621189
N-tert-butylpent-3-en-1-imine
CID 57114189
1-phenyl-N-propylmethanimine;yttrium
CID 58003847
1-(4-methylbenzene-6-id-1-yl)-N-[2-[(2-methylbenzene-6-id-1-yl)methylideneamino]ethyl]methanimine;bis(yttrium)
CID 58604558
(Z)-N-tert-butyl-2,4,4-trimethylpent-2-en-1-imine
CID 59179886
(2E,4E,6E,8E)-N-butyl-3,7,11-trimethyldodeca-2,4,6,8,10-pentaen-1-imine
CID 60138482

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine;ethane?
The IUPAC name of (2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine;ethane (CID 143393387) is (2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine;ethane.
What is the SMILES notation for (2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine;ethane?
The canonical SMILES for (2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine;ethane is C=C/C=C(C)\C(/C=N/C(C)(C)C)=C/CC.CC.
What is the InChIKey of (2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine;ethane?
The InChIKey is MDJORVORHYZTQF-XSNPPGFOSA-N. The full InChI is InChI=1S/C14H23N.C2H6/c1-7-9-12(3)13(10-8-2)11-15-14(4,5)6;1-2/h7,9-11H,1,8H2,2-6H3;1-2H3/b12-9-,13-10-,15-11+;.
What are the key properties of (2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine;ethane?
(2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine;ethane has a molecular weight of 235.41 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine;ethane is sourced from PubChem (CID 143393387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).