(E)-N-methoxy-3,7,11,15-tetramethylhexadec-2-en-1-imine

C21H41NO — CID 91751670

IUPAC(E)-N-methoxy-3,7,11,15-tetramethylhexadec-2-en-1-imine
SMILESCON=C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C21H41NO/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-22-23-6/h16-20H,7-15H2,1-6H3/b21-16+,22-17?
InChIKeyMVWDZTYQBOMLGA-BDXDXDMRSA-N
MW323.56 g/mol
LogP7.00
Rot. Bonds14

About (E)-N-methoxy-3,7,11,15-tetramethylhexadec-2-en-1-imine

(E)-N-methoxy-3,7,11,15-tetramethylhexadec-2-en-1-imine (PubChem CID 91751670) has the molecular formula C21H41NO and a molecular weight of 323.56 g/mol. Its IUPAC name is (E)-N-methoxy-3,7,11,15-tetramethylhexadec-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-methoxy-3,7,11,15-tetramethylhexadec-2-en-1-imine
PubChem CID91751670
Molecular FormulaC21H41NO
Molecular Weight323.56 g/mol
Exact Mass323.32
IUPAC Name(E)-N-methoxy-3,7,11,15-tetramethylhexadec-2-en-1-imine
SMILESCON=C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C21H41NO/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-22-23-6/h16-20H,7-15H2,1-6H3/b21-16+,22-17?
InChIKeyMVWDZTYQBOMLGA-BDXDXDMRSA-N
XLogP7.00
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.56
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[(E)-3,7,11,15-tetramethylhexadec-2-enylidene]hydroxylamine
CID 46225451
(E)-N-methoxy-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanimine
CID 118711638
4-(4-Methyl-3-penten-1-yl)-3-cyclohexene-1-carboxaldehyde oxime
CID 3019908
3-(4-Methyl-3-penten-1-yl)-3-cyclohexene-1-carboxaldehyde oxime
CID 3019909
4-(4-Methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde oxime
CID 9553928
3-(4-Methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde oxime
CID 9553929
3,7,11,15-Tetramethyl-2-hexadecenal, O-TBDMS oxime, # 1
CID 91751671
Perillaldehyde-O-methyloxime
CID 9602600
syn-Retinal methoxime
CID 9604046
(NE)-N-[(E)-2,5,9-trimethyldec-2-enylidene]hydroxylamine
CID 15553298
(E)-N-methoxy-2,6,10-trimethylundec-9-en-1-imine
CID 17887256
(E)-N-methoxy-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanimine
CID 17887268

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-3,7,11,15-tetramethylhexadec-2-en-1-imine?
The IUPAC name of (E)-N-methoxy-3,7,11,15-tetramethylhexadec-2-en-1-imine (CID 91751670) is (E)-N-methoxy-3,7,11,15-tetramethylhexadec-2-en-1-imine.
What is the SMILES notation for (E)-N-methoxy-3,7,11,15-tetramethylhexadec-2-en-1-imine?
The canonical SMILES for (E)-N-methoxy-3,7,11,15-tetramethylhexadec-2-en-1-imine is CON=C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of (E)-N-methoxy-3,7,11,15-tetramethylhexadec-2-en-1-imine?
The InChIKey is MVWDZTYQBOMLGA-BDXDXDMRSA-N. The full InChI is InChI=1S/C21H41NO/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-22-23-6/h16-20H,7-15H2,1-6H3/b21-16+,22-17?.
What are the key properties of (E)-N-methoxy-3,7,11,15-tetramethylhexadec-2-en-1-imine?
(E)-N-methoxy-3,7,11,15-tetramethylhexadec-2-en-1-imine has a molecular weight of 323.56 g/mol, XLogP of 7.00, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-3,7,11,15-tetramethylhexadec-2-en-1-imine is sourced from PubChem (CID 91751670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).