ethane;(Z)-N,5,5,7,7-pentamethylnon-2-en-4-imine

C18H39N — CID 166088744

IUPACethane;(Z)-N,5,5,7,7-pentamethylnon-2-en-4-imine
SMILESC/C=C\C(=N/C)C(C)(C)CC(C)(C)CC.CC.CC
InChIInChI=1S/C14H27N.2C2H6/c1-8-10-12(15-7)14(5,6)11-13(3,4)9-2;2*1-2/h8,10H,9,11H2,1-7H3;2*1-2H3/b10-8-,15-12+;;
InChIKeyBGXYQEDPXNNPBN-KDULCERBSA-N
MW269.52 g/mol
LogP6.54
Rot. Bonds5

About ethane;(Z)-N,5,5,7,7-pentamethylnon-2-en-4-imine

ethane;(Z)-N,5,5,7,7-pentamethylnon-2-en-4-imine (PubChem CID 166088744) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is ethane;(Z)-N,5,5,7,7-pentamethylnon-2-en-4-imine.

Molecular Properties

Compound Nameethane;(Z)-N,5,5,7,7-pentamethylnon-2-en-4-imine
PubChem CID166088744
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC Nameethane;(Z)-N,5,5,7,7-pentamethylnon-2-en-4-imine
SMILESC/C=C\C(=N/C)C(C)(C)CC(C)(C)CC.CC.CC
InChIInChI=1S/C14H27N.2C2H6/c1-8-10-12(15-7)14(5,6)11-13(3,4)9-2;2*1-2/h8,10H,9,11H2,1-7H3;2*1-2H3/b10-8-,15-12+;;
InChIKeyBGXYQEDPXNNPBN-KDULCERBSA-N
XLogP6.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 56.54
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

Ethyl-(3,5,5-trimethyl-cyclohex-2-enylidene)-amine
CID 11205971
3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
CID 70516911
3,5,5-trimethyl-N-[5-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pentyl]cyclohex-2-en-1-imine
CID 141295656
N,2,5,5-tetramethylcyclohex-2-en-1-imine
CID 86038796
(1Z)-3,5,5-Trimethyl-N-(prop-2-en-1-yl)cyclohex-2-en-1-imine
CID 238062
(4Z,8Z)-11-butyl-2,11-diethyl-1-azacyclododeca-4,8,12-triene
CID 20436116
(4E,8E)-11-butyl-2,11-diethyl-1-azacyclododeca-4,8,12-triene
CID 22811542
(5E,9E)-2-[2-(1-propylcyclohexyl)ethyl]-1-azacyclododeca-1,5,9-triene
CID 22816624
11-Butyl-2,11-diethyl-1-azacyclododeca-4,8,12-triene
CID 54179396
N,2,2,7-tetramethyloct-6-en-3-imine
CID 58590902
N,3,5,5-tetramethylcyclohex-2-en-1-imine
CID 70518167
5,5-Dimethylnon-7-en-3-ylidenecyanamide
CID 90791514

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N,5,5,7,7-pentamethylnon-2-en-4-imine?
The IUPAC name of ethane;(Z)-N,5,5,7,7-pentamethylnon-2-en-4-imine (CID 166088744) is ethane;(Z)-N,5,5,7,7-pentamethylnon-2-en-4-imine.
What is the SMILES notation for ethane;(Z)-N,5,5,7,7-pentamethylnon-2-en-4-imine?
The canonical SMILES for ethane;(Z)-N,5,5,7,7-pentamethylnon-2-en-4-imine is C/C=C\C(=N/C)C(C)(C)CC(C)(C)CC.CC.CC.
What is the InChIKey of ethane;(Z)-N,5,5,7,7-pentamethylnon-2-en-4-imine?
The InChIKey is BGXYQEDPXNNPBN-KDULCERBSA-N. The full InChI is InChI=1S/C14H27N.2C2H6/c1-8-10-12(15-7)14(5,6)11-13(3,4)9-2;2*1-2/h8,10H,9,11H2,1-7H3;2*1-2H3/b10-8-,15-12+;;.
What are the key properties of ethane;(Z)-N,5,5,7,7-pentamethylnon-2-en-4-imine?
ethane;(Z)-N,5,5,7,7-pentamethylnon-2-en-4-imine has a molecular weight of 269.52 g/mol, XLogP of 6.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N,5,5,7,7-pentamethylnon-2-en-4-imine is sourced from PubChem (CID 166088744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).