2-cyclopropyl-6,7-dimethyloct-6-en-3-imine

C13H23N — CID 123420612

IUPAC2-cyclopropyl-6,7-dimethyloct-6-en-3-imine
SMILES[H]/N=C(\CCC(C)=C(C)C)C(C)C1CC1
InChIInChI=1S/C13H23N/c1-9(2)10(3)5-8-13(14)11(4)12-6-7-12/h11-12,14H,5-8H2,1-4H3/b14-13+
InChIKeyMGLGOSGRKSZMLO-BUHFOSPRSA-N
MW193.33 g/mol
LogP4.19
Rot. Bonds5

About 2-cyclopropyl-6,7-dimethyloct-6-en-3-imine

2-cyclopropyl-6,7-dimethyloct-6-en-3-imine (PubChem CID 123420612) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2-cyclopropyl-6,7-dimethyloct-6-en-3-imine.

Molecular Properties

Compound Name2-cyclopropyl-6,7-dimethyloct-6-en-3-imine
PubChem CID123420612
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2-cyclopropyl-6,7-dimethyloct-6-en-3-imine
SMILES[H]/N=C(\CCC(C)=C(C)C)C(C)C1CC1
InChIInChI=1S/C13H23N/c1-9(2)10(3)5-8-13(14)11(4)12-6-7-12/h11-12,14H,5-8H2,1-4H3/b14-13+
InChIKeyMGLGOSGRKSZMLO-BUHFOSPRSA-N
XLogP4.19
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.19
H-Bond Donors ≤ 51
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

4-(2-Methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-imine
CID 89084617
4-(2,6,6-Trimethylcyclohexen-1-yl)butan-2-imine
CID 89084634
6-Tert-butyl-4,5,7-trimethylnon-6-en-3-imine
CID 91135805
6-Methyl-2-(1-methyl-2-propan-2-ylcyclopropyl)cyclohept-2-en-1-imine
CID 91447041
3,7,8,10-Tetramethyldodec-9-en-4-imine
CID 91500026
1-Cyclopropyl-3-(2-methylpropyl)oct-2-en-1-imine
CID 91503531
1-Cyclopropyl-8-methylnon-7-en-2-imine
CID 91585531
6-ethyl-5-methyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-imine
CID 117807390
1-[2-(3-Ethylheptyl)cycloprop-2-en-1-yl]propan-2-imine
CID 118396529
(3R)-3,5,5-trimethyl-1-(2-methylcycloprop-2-en-1-yl)hexan-2-imine
CID 121480625
3-Ethyl-8,9-dimethyl-3,6-dipropyldec-8-en-2-imine
CID 123276533
4,6,7-Trimethyldec-8-en-5-imine
CID 123296608

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6,7-dimethyloct-6-en-3-imine?
The IUPAC name of 2-cyclopropyl-6,7-dimethyloct-6-en-3-imine (CID 123420612) is 2-cyclopropyl-6,7-dimethyloct-6-en-3-imine.
What is the SMILES notation for 2-cyclopropyl-6,7-dimethyloct-6-en-3-imine?
The canonical SMILES for 2-cyclopropyl-6,7-dimethyloct-6-en-3-imine is [H]/N=C(\CCC(C)=C(C)C)C(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-6,7-dimethyloct-6-en-3-imine?
The InChIKey is MGLGOSGRKSZMLO-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H23N/c1-9(2)10(3)5-8-13(14)11(4)12-6-7-12/h11-12,14H,5-8H2,1-4H3/b14-13+.
What are the key properties of 2-cyclopropyl-6,7-dimethyloct-6-en-3-imine?
2-cyclopropyl-6,7-dimethyloct-6-en-3-imine has a molecular weight of 193.33 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6,7-dimethyloct-6-en-3-imine is sourced from PubChem (CID 123420612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).