ethane;(2Z)-N-ethyl-2-ethylidene-5-methylcyclopentan-1-imine

C16H35N — CID 143214158

IUPACethane;(2Z)-N-ethyl-2-ethylidene-5-methylcyclopentan-1-imine
SMILESC/C=C1/CCC(C)/C1=N\CC.CC.CC.CC
InChIInChI=1S/C10H17N.3C2H6/c1-4-9-7-6-8(3)10(9)11-5-2;3*1-2/h4,8H,5-7H2,1-3H3;3*1-2H3/b9-4-,11-10+;;;
InChIKeyLROYXEWWMIWMJB-PSLXZNRVSA-N
MW241.46 g/mol
LogP5.90
Rot. Bonds1

About ethane;(2Z)-N-ethyl-2-ethylidene-5-methylcyclopentan-1-imine

ethane;(2Z)-N-ethyl-2-ethylidene-5-methylcyclopentan-1-imine (PubChem CID 143214158) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is ethane;(2Z)-N-ethyl-2-ethylidene-5-methylcyclopentan-1-imine.

Molecular Properties

Compound Nameethane;(2Z)-N-ethyl-2-ethylidene-5-methylcyclopentan-1-imine
PubChem CID143214158
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Nameethane;(2Z)-N-ethyl-2-ethylidene-5-methylcyclopentan-1-imine
SMILESC/C=C1/CCC(C)/C1=N\CC.CC.CC.CC
InChIInChI=1S/C10H17N.3C2H6/c1-4-9-7-6-8(3)10(9)11-5-2;3*1-2/h4,8H,5-7H2,1-3H3;3*1-2H3/b9-4-,11-10+;;;
InChIKeyLROYXEWWMIWMJB-PSLXZNRVSA-N
XLogP5.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 70585414

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z)-N-ethyl-2-ethylidene-5-methylcyclopentan-1-imine?
The IUPAC name of ethane;(2Z)-N-ethyl-2-ethylidene-5-methylcyclopentan-1-imine (CID 143214158) is ethane;(2Z)-N-ethyl-2-ethylidene-5-methylcyclopentan-1-imine.
What is the SMILES notation for ethane;(2Z)-N-ethyl-2-ethylidene-5-methylcyclopentan-1-imine?
The canonical SMILES for ethane;(2Z)-N-ethyl-2-ethylidene-5-methylcyclopentan-1-imine is C/C=C1/CCC(C)/C1=N\CC.CC.CC.CC.
What is the InChIKey of ethane;(2Z)-N-ethyl-2-ethylidene-5-methylcyclopentan-1-imine?
The InChIKey is LROYXEWWMIWMJB-PSLXZNRVSA-N. The full InChI is InChI=1S/C10H17N.3C2H6/c1-4-9-7-6-8(3)10(9)11-5-2;3*1-2/h4,8H,5-7H2,1-3H3;3*1-2H3/b9-4-,11-10+;;;.
What are the key properties of ethane;(2Z)-N-ethyl-2-ethylidene-5-methylcyclopentan-1-imine?
ethane;(2Z)-N-ethyl-2-ethylidene-5-methylcyclopentan-1-imine has a molecular weight of 241.46 g/mol, XLogP of 5.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-N-ethyl-2-ethylidene-5-methylcyclopentan-1-imine is sourced from PubChem (CID 143214158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).