(5E,9E)-N-tert-butyl-5,9,12-trimethyltrideca-5,9-dien-2-imine

C20H37N — CID 138650644

IUPAC(5E,9E)-N-tert-butyl-5,9,12-trimethyltrideca-5,9-dien-2-imine
SMILESC/C(=C\CC(C)C)CC/C=C(\C)CC/C(C)=N/C(C)(C)C
InChIInChI=1S/C20H37N/c1-16(2)12-13-17(3)10-9-11-18(4)14-15-19(5)21-20(6,7)8/h11,13,16H,9-10,12,14-15H2,1-8H3/b17-13+,18-11+,21-19+
InChIKeyBOGADQJZLSNCSK-MKZFFOBQSA-N
MW291.52 g/mol
LogP6.74
Rot. Bonds8

About (5E,9E)-N-tert-butyl-5,9,12-trimethyltrideca-5,9-dien-2-imine

(5E,9E)-N-tert-butyl-5,9,12-trimethyltrideca-5,9-dien-2-imine (PubChem CID 138650644) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is (5E,9E)-N-tert-butyl-5,9,12-trimethyltrideca-5,9-dien-2-imine.

Molecular Properties

Compound Name(5E,9E)-N-tert-butyl-5,9,12-trimethyltrideca-5,9-dien-2-imine
PubChem CID138650644
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name(5E,9E)-N-tert-butyl-5,9,12-trimethyltrideca-5,9-dien-2-imine
SMILESC/C(=C\CC(C)C)CC/C=C(\C)CC/C(C)=N/C(C)(C)C
InChIInChI=1S/C20H37N/c1-16(2)12-13-17(3)10-9-11-18(4)14-15-19(5)21-20(6,7)8/h11,13,16H,9-10,12,14-15H2,1-8H3/b17-13+,18-11+,21-19+
InChIKeyBOGADQJZLSNCSK-MKZFFOBQSA-N
XLogP6.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(6E,10E,14E)-2,6,10,14,17-pentamethyloctadeca-2,6,10,14-tetraene
CID 140685405
(E,5E,9E)-5,9,12,12-tetramethyl-N-propan-2-yloxytrideca-5,9-dien-2-imine
CID 155135921
(E)-2,5-dimethyloct-4-ene
CID 173056267
(Z)-3,6-dimethylhept-3-en-1-amine
CID 178015880
(5E,9E)-N,5,9-trimethylundeca-5,9-dien-2-imine
CID 129175719
(6E,10E)-2,6,10-trimethyl-14,14-bis(2-methylpropoxy)pentadeca-2,6,10-triene
CID 90239470
(6E,13E,17Z)-2,6,12,12,17,20-hexamethyl-9-methylidenehenicosa-2,6,13,17-tetraene
CID 58292421
(6E,10E,14E)-2,6,10,15,18-pentamethylnonadeca-2,6,10,14-tetraene
CID 58369783
(4E,8E,12E)-5,9,13,16-tetramethylheptadeca-4,8,12-triene
CID 23553717
(1E,5E)-9-ethylimino-2,6-dimethyldeca-1,5-dien-1-amine
CID 145317446
(E)-2,2,3,6-tetramethylhept-3-ene
CID 13070117
(14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol
CID 88794076

Frequently Asked Questions

What is the IUPAC name of (5E,9E)-N-tert-butyl-5,9,12-trimethyltrideca-5,9-dien-2-imine?
The IUPAC name of (5E,9E)-N-tert-butyl-5,9,12-trimethyltrideca-5,9-dien-2-imine (CID 138650644) is (5E,9E)-N-tert-butyl-5,9,12-trimethyltrideca-5,9-dien-2-imine.
What is the SMILES notation for (5E,9E)-N-tert-butyl-5,9,12-trimethyltrideca-5,9-dien-2-imine?
The canonical SMILES for (5E,9E)-N-tert-butyl-5,9,12-trimethyltrideca-5,9-dien-2-imine is C/C(=C\CC(C)C)CC/C=C(\C)CC/C(C)=N/C(C)(C)C.
What is the InChIKey of (5E,9E)-N-tert-butyl-5,9,12-trimethyltrideca-5,9-dien-2-imine?
The InChIKey is BOGADQJZLSNCSK-MKZFFOBQSA-N. The full InChI is InChI=1S/C20H37N/c1-16(2)12-13-17(3)10-9-11-18(4)14-15-19(5)21-20(6,7)8/h11,13,16H,9-10,12,14-15H2,1-8H3/b17-13+,18-11+,21-19+.
What are the key properties of (5E,9E)-N-tert-butyl-5,9,12-trimethyltrideca-5,9-dien-2-imine?
(5E,9E)-N-tert-butyl-5,9,12-trimethyltrideca-5,9-dien-2-imine has a molecular weight of 291.52 g/mol, XLogP of 6.74, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E)-N-tert-butyl-5,9,12-trimethyltrideca-5,9-dien-2-imine is sourced from PubChem (CID 138650644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).