6-ethyl-5,7-dimethyl-7-propylcyclohept-4-ene-1,3-diimine

C14H24N2 — CID 123550740

IUPAC6-ethyl-5,7-dimethyl-7-propylcyclohept-4-ene-1,3-diimine
SMILES[H]/N=C1\C=C(C)C(CC)C(C)(CCC)/C(=N/[H])C1
InChIInChI=1S/C14H24N2/c1-5-7-14(4)12(6-2)10(3)8-11(15)9-13(14)16/h8,12,15-16H,5-7,9H2,1-4H3/b15-11+,16-13+
InChIKeyGCNPRLYNQCCWIM-NWFDBUFXSA-N
MW220.36 g/mol
LogP4.21
Rot. Bonds3

About 6-ethyl-5,7-dimethyl-7-propylcyclohept-4-ene-1,3-diimine

6-ethyl-5,7-dimethyl-7-propylcyclohept-4-ene-1,3-diimine (PubChem CID 123550740) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 6-ethyl-5,7-dimethyl-7-propylcyclohept-4-ene-1,3-diimine.

Molecular Properties

Compound Name6-ethyl-5,7-dimethyl-7-propylcyclohept-4-ene-1,3-diimine
PubChem CID123550740
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name6-ethyl-5,7-dimethyl-7-propylcyclohept-4-ene-1,3-diimine
SMILES[H]/N=C1\C=C(C)C(CC)C(C)(CCC)/C(=N/[H])C1
InChIInChI=1S/C14H24N2/c1-5-7-14(4)12(6-2)10(3)8-11(15)9-13(14)16/h8,12,15-16H,5-7,9H2,1-4H3/b15-11+,16-13+
InChIKeyGCNPRLYNQCCWIM-NWFDBUFXSA-N
XLogP4.21
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine
CID 91340707
2-Cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 58555275
3-[(E)-but-2-en-2-yl]-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587061
4a,5-Dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587147
Azane;3,5,5-trimethylcyclohex-2-en-1-imine
CID 69864880
2-Heptan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69973378
(4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine
CID 87279105
(4S)-2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 87279106
3,5-Dimethylcyclohept-2-en-1-imine
CID 90778792
3,8,8-Trimethyl-6-(3-methylpentan-3-yl)-3-phosphanylcyclooct-5-ene-1,4-diimine
CID 90790271
2-Cyclohexa-1,5-dien-1-yl-6,6-dimethylcyclohept-2-ene-1,4-diimine
CID 90793702
4-Ethyl-4,8-dimethyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclobutylidene]nonan-5-imine
CID 90813962

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5,7-dimethyl-7-propylcyclohept-4-ene-1,3-diimine?
The IUPAC name of 6-ethyl-5,7-dimethyl-7-propylcyclohept-4-ene-1,3-diimine (CID 123550740) is 6-ethyl-5,7-dimethyl-7-propylcyclohept-4-ene-1,3-diimine.
What is the SMILES notation for 6-ethyl-5,7-dimethyl-7-propylcyclohept-4-ene-1,3-diimine?
The canonical SMILES for 6-ethyl-5,7-dimethyl-7-propylcyclohept-4-ene-1,3-diimine is [H]/N=C1\C=C(C)C(CC)C(C)(CCC)/C(=N/[H])C1.
What is the InChIKey of 6-ethyl-5,7-dimethyl-7-propylcyclohept-4-ene-1,3-diimine?
The InChIKey is GCNPRLYNQCCWIM-NWFDBUFXSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-7-14(4)12(6-2)10(3)8-11(15)9-13(14)16/h8,12,15-16H,5-7,9H2,1-4H3/b15-11+,16-13+.
What are the key properties of 6-ethyl-5,7-dimethyl-7-propylcyclohept-4-ene-1,3-diimine?
6-ethyl-5,7-dimethyl-7-propylcyclohept-4-ene-1,3-diimine has a molecular weight of 220.36 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5,7-dimethyl-7-propylcyclohept-4-ene-1,3-diimine is sourced from PubChem (CID 123550740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).