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

C14H23N — CID 143393388

IUPAC(2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine
SMILESC=C/C=C(C)\C(/C=N/C(C)(C)C)=C/CC
InChIInChI=1S/C14H23N/c1-7-9-12(3)13(10-8-2)11-15-14(4,5)6/h7,9-11H,1,8H2,2-6H3/b12-9-,13-10-,15-11+
InChIKeyBTHFDVSQMANFKH-OXAHCZQQSA-N
MW205.34 g/mol
LogP4.32
Rot. Bonds4

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

(2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine (PubChem CID 143393388) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine.

Molecular Properties

Compound Name(2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine
PubChem CID143393388
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine
SMILESC=C/C=C(C)\C(/C=N/C(C)(C)C)=C/CC
InChIInChI=1S/C14H23N/c1-7-9-12(3)13(10-8-2)11-15-14(4,5)6/h7,9-11H,1,8H2,2-6H3/b12-9-,13-10-,15-11+
InChIKeyBTHFDVSQMANFKH-OXAHCZQQSA-N
XLogP4.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.32
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

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
2-methyl-2-pentenal N-allylimine
CID 129747538
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
(2E,5E)-N-tert-butyl-3,7-dimethylocta-2,5-dien-1-imine
CID 135053282
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
1-(5-fluorocyclohepta-1,3,6-trien-1-yl)-N-methylmethanimine
CID 143995117
(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine
CID 10464698
N-tert-butylpent-3-en-1-imine
CID 57114189
1-phenyl-N-propylmethanimine;yttrium
CID 58003847

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine?
The IUPAC name of (2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine (CID 143393388) is (2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine.
What is the SMILES notation for (2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine?
The canonical SMILES for (2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine is C=C/C=C(C)\C(/C=N/C(C)(C)C)=C/CC.
What is the InChIKey of (2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine?
The InChIKey is BTHFDVSQMANFKH-OXAHCZQQSA-N. The full InChI is InChI=1S/C14H23N/c1-7-9-12(3)13(10-8-2)11-15-14(4,5)6/h7,9-11H,1,8H2,2-6H3/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?
(2E,3Z)-N-tert-butyl-3-methyl-2-propylidenehexa-3,5-dien-1-imine has a molecular weight of 205.34 g/mol, XLogP of 4.32, 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 is sourced from PubChem (CID 143393388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).