N-ethyl-6,9,11-trimethyl-9-propyldodec-11-en-2-imine

C20H39N — CID 123930924

IUPACN-ethyl-6,9,11-trimethyl-9-propyldodec-11-en-2-imine
SMILESC=C(C)CC(C)(CCC)CCC(C)CCC/C(C)=N/CC
InChIInChI=1S/C20H39N/c1-8-14-20(7,16-17(3)4)15-13-18(5)11-10-12-19(6)21-9-2/h18H,3,8-16H2,1-2,4-7H3/b21-19+
InChIKeyCZGHUVAPYLWGQW-XUTLUUPISA-N
MW293.54 g/mol
LogP6.83
Rot. Bonds12

About N-ethyl-6,9,11-trimethyl-9-propyldodec-11-en-2-imine

N-ethyl-6,9,11-trimethyl-9-propyldodec-11-en-2-imine (PubChem CID 123930924) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is N-ethyl-6,9,11-trimethyl-9-propyldodec-11-en-2-imine.

Molecular Properties

Compound NameN-ethyl-6,9,11-trimethyl-9-propyldodec-11-en-2-imine
PubChem CID123930924
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC NameN-ethyl-6,9,11-trimethyl-9-propyldodec-11-en-2-imine
SMILESC=C(C)CC(C)(CCC)CCC(C)CCC/C(C)=N/CC
InChIInChI=1S/C20H39N/c1-8-14-20(7,16-17(3)4)15-13-18(5)11-10-12-19(6)21-9-2/h18H,3,8-16H2,1-2,4-7H3/b21-19+
InChIKeyCZGHUVAPYLWGQW-XUTLUUPISA-N
XLogP6.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 56.83
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

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CID 91530706
3-ethyl-2-(fluoromethyl)-N-methylnon-1-en-4-imine
CID 143491190
2-tert-butyl-4-propan-2-yl-3H-pyrrole
CID 58490892
N-tert-butyl-1-[1-(2-methylprop-2-enyl)cyclohexyl]ethanimine
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CID 89004526
4-(2,2-dimethylpropyl)-2-ethyl-3H-pyrrole
CID 89324571
1,4-Dimethyl-4a,5,6,7,8,9,10,11,12,13,14,14a-dodecahydrocyclododeca[c]pyridine
CID 89994118
2,3-Dimethyl-5-pentyl-3,4-dihydropyridine
CID 90804373
N,3,3,5,6-pentamethylhept-6-en-2-imine
CID 123186995
1-(1-ethylcyclopropyl)-5,5-dimethyl-4-methylidene-N-prop-2-enylhexan-1-imine
CID 123408585
N-ethyl-3,6,7-trimethyloct-7-en-4-imine
CID 123411082

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6,9,11-trimethyl-9-propyldodec-11-en-2-imine?
The IUPAC name of N-ethyl-6,9,11-trimethyl-9-propyldodec-11-en-2-imine (CID 123930924) is N-ethyl-6,9,11-trimethyl-9-propyldodec-11-en-2-imine.
What is the SMILES notation for N-ethyl-6,9,11-trimethyl-9-propyldodec-11-en-2-imine?
The canonical SMILES for N-ethyl-6,9,11-trimethyl-9-propyldodec-11-en-2-imine is C=C(C)CC(C)(CCC)CCC(C)CCC/C(C)=N/CC.
What is the InChIKey of N-ethyl-6,9,11-trimethyl-9-propyldodec-11-en-2-imine?
The InChIKey is CZGHUVAPYLWGQW-XUTLUUPISA-N. The full InChI is InChI=1S/C20H39N/c1-8-14-20(7,16-17(3)4)15-13-18(5)11-10-12-19(6)21-9-2/h18H,3,8-16H2,1-2,4-7H3/b21-19+.
What are the key properties of N-ethyl-6,9,11-trimethyl-9-propyldodec-11-en-2-imine?
N-ethyl-6,9,11-trimethyl-9-propyldodec-11-en-2-imine has a molecular weight of 293.54 g/mol, XLogP of 6.83, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6,9,11-trimethyl-9-propyldodec-11-en-2-imine is sourced from PubChem (CID 123930924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).