N-(2,6-dimethylcyclohexen-1-yl)-3-methylbut-3-en-2-imine;ethane

C17H33N — CID 143063433

IUPACN-(2,6-dimethylcyclohexen-1-yl)-3-methylbut-3-en-2-imine;ethane
SMILESC=C(C)/C(C)=N/C1=C(C)CCCC1C.CC.CC
InChIInChI=1S/C13H21N.2C2H6/c1-9(2)12(5)14-13-10(3)7-6-8-11(13)4;2*1-2/h10H,1,6-8H2,2-5H3;2*1-2H3/b14-12+;;
InChIKeyHBZUDYGWDGEULO-QHXCTMFKSA-N
MW251.46 g/mol
LogP6.17
Rot. Bonds2

About N-(2,6-dimethylcyclohexen-1-yl)-3-methylbut-3-en-2-imine;ethane

N-(2,6-dimethylcyclohexen-1-yl)-3-methylbut-3-en-2-imine;ethane (PubChem CID 143063433) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexen-1-yl)-3-methylbut-3-en-2-imine;ethane.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexen-1-yl)-3-methylbut-3-en-2-imine;ethane
PubChem CID143063433
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN-(2,6-dimethylcyclohexen-1-yl)-3-methylbut-3-en-2-imine;ethane
SMILESC=C(C)/C(C)=N/C1=C(C)CCCC1C.CC.CC
InChIInChI=1S/C13H21N.2C2H6/c1-9(2)12(5)14-13-10(3)7-6-8-11(13)4;2*1-2/h10H,1,6-8H2,2-5H3;2*1-2H3/b14-12+;;
InChIKeyHBZUDYGWDGEULO-QHXCTMFKSA-N
XLogP6.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 56.17
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

N-(2,6-dimethylcyclohexen-1-yl)methanimine
CID 163586439
1,2,3,4,5-pentamethylcycloocta-1,3-diene
CID 175510091
2-methyl-6-prop-1-en-2-ylcyclohexen-1-ol
CID 66985844
(3S)-2,3-dimethyl-1-prop-1-en-2-ylcyclohexene
CID 170619549
1,3-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4,6-trien-2-yl]cyclohexene
CID 170619792
N-cyclohexyl-3-methylbut-3-en-2-imine
CID 86006546
1-methyl-2-propan-2-ylidenecyclopentane
CID 57092492
N,3-dimethyl-2-(2-methylprop-2-enylideneamino)cyclopent-2-en-1-amine
CID 144537859
1-methylidene-2-prop-1-en-2-ylcyclopentane
CID 86017725
1-cyclopropylidene-2-methylcyclopentane
CID 154517244
(1E,3Z,5E,7E)-8-(2,6-dimethylcyclohexen-1-yl)-2,6-dimethylocta-1,3,5,7-tetraen-1-ol;ethane
CID 144550356
(2Z,4E)-5-(2,6-dimethylcyclohexen-1-yl)-3-methylpenta-2,4-dienal
CID 142351999

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylcyclohexen-1-yl)-3-methylbut-3-en-2-imine;ethane?
The IUPAC name of N-(2,6-dimethylcyclohexen-1-yl)-3-methylbut-3-en-2-imine;ethane (CID 143063433) is N-(2,6-dimethylcyclohexen-1-yl)-3-methylbut-3-en-2-imine;ethane.
What is the SMILES notation for N-(2,6-dimethylcyclohexen-1-yl)-3-methylbut-3-en-2-imine;ethane?
The canonical SMILES for N-(2,6-dimethylcyclohexen-1-yl)-3-methylbut-3-en-2-imine;ethane is C=C(C)/C(C)=N/C1=C(C)CCCC1C.CC.CC.
What is the InChIKey of N-(2,6-dimethylcyclohexen-1-yl)-3-methylbut-3-en-2-imine;ethane?
The InChIKey is HBZUDYGWDGEULO-QHXCTMFKSA-N. The full InChI is InChI=1S/C13H21N.2C2H6/c1-9(2)12(5)14-13-10(3)7-6-8-11(13)4;2*1-2/h10H,1,6-8H2,2-5H3;2*1-2H3/b14-12+;;.
What are the key properties of N-(2,6-dimethylcyclohexen-1-yl)-3-methylbut-3-en-2-imine;ethane?
N-(2,6-dimethylcyclohexen-1-yl)-3-methylbut-3-en-2-imine;ethane has a molecular weight of 251.46 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylcyclohexen-1-yl)-3-methylbut-3-en-2-imine;ethane is sourced from PubChem (CID 143063433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).