N,N-diethylethanamine;methylcyclohexane

C13H29N — CID 175319333

IUPACN,N-diethylethanamine;methylcyclohexane
SMILESCC1CCCCC1.CCN(CC)CC
InChIInChI=1S/C7H14.C6H15N/c1-7-5-3-2-4-6-7;1-4-7(5-2)6-3/h7H,2-6H2,1H3;4-6H2,1-3H3
InChIKeyVYQBOFHLUFARIM-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.93
Rot. Bonds3

About N,N-diethylethanamine;methylcyclohexane

N,N-diethylethanamine;methylcyclohexane (PubChem CID 175319333) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N,N-diethylethanamine;methylcyclohexane.

Molecular Properties

Compound NameN,N-diethylethanamine;methylcyclohexane
PubChem CID175319333
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN,N-diethylethanamine;methylcyclohexane
SMILESCC1CCCCC1.CCN(CC)CC
InChIInChI=1S/C7H14.C6H15N/c1-7-5-3-2-4-6-7;1-4-7(5-2)6-3/h7H,2-6H2,1H3;4-6H2,1-3H3
InChIKeyVYQBOFHLUFARIM-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;methylcyclopentane;propane
CID 142080084
ethane;methylcyclohexane;methylcyclopentane
CID 159395989
ethanamine;ethane;methylcyclohexane
CID 143506245
methane;methylcyclohexane;propane
CID 143031585
ethane;methylcyclohexane;dihydrate
CID 144526565
ethane;methane;methylcyclohexane
CID 142966230
ethane;methylcyclohexane;sulfane
CID 145330244
ethane;methane;methylcyclohexane;methylcyclopentane
CID 158993326
1,6-dimethylcycloundecane
CID 91298161
cyclohexane;methylcyclopentane
CID 20788572
ethane;methanethiol;bis(methylcyclopentane);propane
CID 162283921
ethane;tris(methylcyclohexane);octane
CID 142912940

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;methylcyclohexane?
The IUPAC name of N,N-diethylethanamine;methylcyclohexane (CID 175319333) is N,N-diethylethanamine;methylcyclohexane.
What is the SMILES notation for N,N-diethylethanamine;methylcyclohexane?
The canonical SMILES for N,N-diethylethanamine;methylcyclohexane is CC1CCCCC1.CCN(CC)CC.
What is the InChIKey of N,N-diethylethanamine;methylcyclohexane?
The InChIKey is VYQBOFHLUFARIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C6H15N/c1-7-5-3-2-4-6-7;1-4-7(5-2)6-3/h7H,2-6H2,1H3;4-6H2,1-3H3.
What are the key properties of N,N-diethylethanamine;methylcyclohexane?
N,N-diethylethanamine;methylcyclohexane has a molecular weight of 199.38 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;methylcyclohexane is sourced from PubChem (CID 175319333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).