N-(2,6-dimethylcyclohexyl)methanimine

C9H17N — CID 13090551

IUPACN-(2,6-dimethylcyclohexyl)methanimine
SMILESC=NC1C(C)CCCC1C
InChIInChI=1S/C9H17N/c1-7-5-4-6-8(2)9(7)10-3/h7-9H,3-6H2,1-2H3
InChIKeyPXXAAEUVGUGJAT-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.51
Rot. Bonds1

About N-(2,6-dimethylcyclohexyl)methanimine

N-(2,6-dimethylcyclohexyl)methanimine (PubChem CID 13090551) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexyl)methanimine.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexyl)methanimine
PubChem CID13090551
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-(2,6-dimethylcyclohexyl)methanimine
SMILESC=NC1C(C)CCCC1C
InChIInChI=1S/C9H17N/c1-7-5-4-6-8(2)9(7)10-3/h7-9H,3-6H2,1-2H3
InChIKeyPXXAAEUVGUGJAT-UHFFFAOYSA-N
XLogP2.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.51
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

ethane;trans-(1R,2R)-1,2-dimethylcyclopentane
CID 91129712
CID 134889664
CID 134889664
cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane
CID 91373089
bis(cis-(1R,3S)-1,2,3-trimethylcyclohexane);ethane;trans-(1R,3R)-1,2,3-trimethylcyclohexane;trans-(1S,3S)-1,2,3-trimethylcyclohexane
CID 159423261
cis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane
CID 142244795
N-cyclobutylmethanimine
CID 123570693
[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium
CID 11862774
1,2-dimethylcyclononadecane
CID 123549851
1,2-dimethylcycloicosane
CID 123296856
1,2-dimethylcyclohexane;vanadium
CID 142004480
cis-(1R,2S)-1-methyl-2-[(1R,2R)-2-[(1S,2R)-2-[(1S,2S)-2-[(1R,2S)-2-methylcyclopentyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclopentane;cis-(1R,2S)-1-methyl-2-[(1S,2S)-2-[(1S,2R)-2-[(1R,2R)-2-[(1R,2S)-2-methylcyclopentyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclopentane
CID 157247128
dichlorotitanium;1,2-dimethylcyclopentane
CID 174468926

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylcyclohexyl)methanimine?
The IUPAC name of N-(2,6-dimethylcyclohexyl)methanimine (CID 13090551) is N-(2,6-dimethylcyclohexyl)methanimine.
What is the SMILES notation for N-(2,6-dimethylcyclohexyl)methanimine?
The canonical SMILES for N-(2,6-dimethylcyclohexyl)methanimine is C=NC1C(C)CCCC1C.
What is the InChIKey of N-(2,6-dimethylcyclohexyl)methanimine?
The InChIKey is PXXAAEUVGUGJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7-5-4-6-8(2)9(7)10-3/h7-9H,3-6H2,1-2H3.
What are the key properties of N-(2,6-dimethylcyclohexyl)methanimine?
N-(2,6-dimethylcyclohexyl)methanimine has a molecular weight of 139.24 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylcyclohexyl)methanimine is sourced from PubChem (CID 13090551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).