N-ethyl-2-ethylidene-4-(2-ethyl-2,3,3-trimethylcyclopentyl)hex-3-en-1-imine

C20H35N — CID 123574516

IUPACN-ethyl-2-ethylidene-4-(2-ethyl-2,3,3-trimethylcyclopentyl)hex-3-en-1-imine
SMILESCC=C(C=C(CC)C1CCC(C)(C)C1(C)CC)/C=N/CC
InChIInChI=1S/C20H35N/c1-8-16(15-21-11-4)14-17(9-2)18-12-13-19(5,6)20(18,7)10-3/h8,14-15,18H,9-13H2,1-7H3/b16-8?,17-14?,21-15+
InChIKeyIKCQUBRVAZKRQW-WQTJYYBBSA-N
MW289.51 g/mol
LogP6.21
Rot. Bonds6

About N-ethyl-2-ethylidene-4-(2-ethyl-2,3,3-trimethylcyclopentyl)hex-3-en-1-imine

N-ethyl-2-ethylidene-4-(2-ethyl-2,3,3-trimethylcyclopentyl)hex-3-en-1-imine (PubChem CID 123574516) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N-ethyl-2-ethylidene-4-(2-ethyl-2,3,3-trimethylcyclopentyl)hex-3-en-1-imine.

Molecular Properties

Compound NameN-ethyl-2-ethylidene-4-(2-ethyl-2,3,3-trimethylcyclopentyl)hex-3-en-1-imine
PubChem CID123574516
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN-ethyl-2-ethylidene-4-(2-ethyl-2,3,3-trimethylcyclopentyl)hex-3-en-1-imine
SMILESCC=C(C=C(CC)C1CCC(C)(C)C1(C)CC)/C=N/CC
InChIInChI=1S/C20H35N/c1-8-16(15-21-11-4)14-17(9-2)18-12-13-19(5,6)20(18,7)10-3/h8,14-15,18H,9-13H2,1-7H3/b16-8?,17-14?,21-15+
InChIKeyIKCQUBRVAZKRQW-WQTJYYBBSA-N
XLogP6.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 56.21
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-ethyl-2-propan-2-ylidene-4-(6,8,16-trimethyl-15-tetracyclo[9.7.0.03,8.012,16]octadeca-1,3-dienyl)hexa-3,5-dien-1-imine
CID 90908706
N-[6-but-1-en-2-yl-3-methylidene-4-(3-methylpentan-3-yl)undec-6-enyl]prop-2-en-1-imine
CID 91378339
4-(4,7a-dimethyl-1,2,3,3a,4,7-hexahydroinden-1-yl)-2-propan-2-ylidene-N-propylhexa-3,5-dien-1-imine
CID 123417329
(Z)-3-(4,5-ditert-butyl-2-methylcyclopenten-1-yl)-N-methylprop-2-en-1-imine
CID 126640022
1-[(7Z)-2,3-diethyl-7-ethylidene-2,3-dihydroinden-1-yl]-N-methylmethanimine
CID 130217410
N-methyl-2-[6-[1-[6-(2-methylpent-3-en-2-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,5-dien-1-yl]propan-1-imine
CID 134201764
(Z)-N-methyl-4-[2-[(Z)-3-methylpent-2-en-2-yl]-3-(5,6,9-trimethyl-6-prop-1-enyldeca-3,9-dien-5-yl)cyclohexa-1,5-dien-1-yl]but-2-en-1-imine
CID 139373009
ethane;(2E)-2-[5-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]-3-[1-(3-methylcyclopentyl)heptan-4-yl]cyclohexa-2,4-dien-1-ylidene]-N-methylpropan-1-imine
CID 145500201
4-methylnonane;4-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)-2H-pyrrole
CID 153556995
ethane;4-methylnonane;4-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)-2H-pyrrole
CID 153557025
3-Methyl-3-(6-methylnonan-4-yl)-6-propan-2-ylazepine
CID 153623177
3,4-Dimethyloctane;3-ethyl-3-methyl-6-propan-2-ylazepine
CID 153623210

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-ethylidene-4-(2-ethyl-2,3,3-trimethylcyclopentyl)hex-3-en-1-imine?
The IUPAC name of N-ethyl-2-ethylidene-4-(2-ethyl-2,3,3-trimethylcyclopentyl)hex-3-en-1-imine (CID 123574516) is N-ethyl-2-ethylidene-4-(2-ethyl-2,3,3-trimethylcyclopentyl)hex-3-en-1-imine.
What is the SMILES notation for N-ethyl-2-ethylidene-4-(2-ethyl-2,3,3-trimethylcyclopentyl)hex-3-en-1-imine?
The canonical SMILES for N-ethyl-2-ethylidene-4-(2-ethyl-2,3,3-trimethylcyclopentyl)hex-3-en-1-imine is CC=C(C=C(CC)C1CCC(C)(C)C1(C)CC)/C=N/CC.
What is the InChIKey of N-ethyl-2-ethylidene-4-(2-ethyl-2,3,3-trimethylcyclopentyl)hex-3-en-1-imine?
The InChIKey is IKCQUBRVAZKRQW-WQTJYYBBSA-N. The full InChI is InChI=1S/C20H35N/c1-8-16(15-21-11-4)14-17(9-2)18-12-13-19(5,6)20(18,7)10-3/h8,14-15,18H,9-13H2,1-7H3/b16-8?,17-14?,21-15+.
What are the key properties of N-ethyl-2-ethylidene-4-(2-ethyl-2,3,3-trimethylcyclopentyl)hex-3-en-1-imine?
N-ethyl-2-ethylidene-4-(2-ethyl-2,3,3-trimethylcyclopentyl)hex-3-en-1-imine has a molecular weight of 289.51 g/mol, XLogP of 6.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-ethylidene-4-(2-ethyl-2,3,3-trimethylcyclopentyl)hex-3-en-1-imine is sourced from PubChem (CID 123574516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).