N-[(3Z)-5-tert-butyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine

C16H29N — CID 144768985

IUPACN-[(3Z)-5-tert-butyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine
SMILESC=C/C=C(\N=C\C)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H29N/c1-9-11-14(17-10-2)13(16(6,7)8)12-15(3,4)5/h9-11,13H,1,12H2,2-8H3/b14-11-,17-10+
InChIKeyLMLMQYSKHKRVMG-HOVRWEJTSA-N
MW235.41 g/mol
LogP5.25
Rot. Bonds4

About N-[(3Z)-5-tert-butyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine

N-[(3Z)-5-tert-butyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine (PubChem CID 144768985) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N-[(3Z)-5-tert-butyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine.

Molecular Properties

Compound NameN-[(3Z)-5-tert-butyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine
PubChem CID144768985
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN-[(3Z)-5-tert-butyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine
SMILESC=C/C=C(\N=C\C)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H29N/c1-9-11-14(17-10-2)13(16(6,7)8)12-15(3,4)5/h9-11,13H,1,12H2,2-8H3/b14-11-,17-10+
InChIKeyLMLMQYSKHKRVMG-HOVRWEJTSA-N
XLogP5.25
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 ≤ 55.25
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-[(2Z,4E,6E)-7-methyl-4-(2-methylbutyl)nona-2,4,6,8-tetraen-3-yl]prop-2-en-1-imine
CID 88267020
N-[(2Z,4Z)-6-ethylnona-2,4-dien-5-yl]ethanimine
CID 89186964
6-(2,2-Dimethylbutyl)-2-azabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraene
CID 90747631
3,5-Dimethyl-7-(2-methylbutyl)-3-(3-methylbutyl)azepine
CID 91138427
(5S)-5-methyl-5,6-dihydro-4aH-cyclohepta[b]pyridine
CID 118047640
6-[(Z)-but-1-enyl]-4-ethyl-3-[(3Z,5Z)-hepta-3,5-dien-2-yl]-3,4-dihydropyridine
CID 118616845
(6S)-6-[(1Z)-buta-1,3-dienyl]-3,5-dimethyl-2-methylidene-4,5,6,7,8,9-hexahydro-3H-azecine
CID 121313684
3-methyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.0]hex-2-enyl)penta-2,4-dien-1-imine
CID 123904964
N-(4,4,5-trimethyl-7-methylidenecyclohepten-1-yl)propan-1-imine
CID 124014688
N-(2,3,4-trimethyl-4-prop-1-enylcyclohexa-1,5-dien-1-yl)ethanimine
CID 124026017
(3E,6R)-5-ethyl-8-imino-5,6-dimethylocta-1,3-dien-4-amine
CID 126584283
N-[(4Z,6Z)-8-(1,2-dimethylcyclopropyl)-3-methylideneocta-1,4,6-trien-2-yl]ethanimine
CID 129035115

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-5-tert-butyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine?
The IUPAC name of N-[(3Z)-5-tert-butyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine (CID 144768985) is N-[(3Z)-5-tert-butyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine.
What is the SMILES notation for N-[(3Z)-5-tert-butyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine?
The canonical SMILES for N-[(3Z)-5-tert-butyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine is C=C/C=C(\N=C\C)C(CC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-[(3Z)-5-tert-butyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine?
The InChIKey is LMLMQYSKHKRVMG-HOVRWEJTSA-N. The full InChI is InChI=1S/C16H29N/c1-9-11-14(17-10-2)13(16(6,7)8)12-15(3,4)5/h9-11,13H,1,12H2,2-8H3/b14-11-,17-10+.
What are the key properties of N-[(3Z)-5-tert-butyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine?
N-[(3Z)-5-tert-butyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine has a molecular weight of 235.41 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-5-tert-butyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine is sourced from PubChem (CID 144768985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).