N,N-dimethyl-2-(4-methylcyclohexyl)oxyethanamine;ethane

C13H29NO — CID 159592943

IUPACN,N-dimethyl-2-(4-methylcyclohexyl)oxyethanamine;ethane
SMILESCC.CC1CCC(OCCN(C)C)CC1
InChIInChI=1S/C11H23NO.C2H6/c1-10-4-6-11(7-5-10)13-9-8-12(2)3;1-2/h10-11H,4-9H2,1-3H3;1-2H3
InChIKeyMKLWCNSQFQQSGL-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.17
Rot. Bonds4

About N,N-dimethyl-2-(4-methylcyclohexyl)oxyethanamine;ethane

N,N-dimethyl-2-(4-methylcyclohexyl)oxyethanamine;ethane (PubChem CID 159592943) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methylcyclohexyl)oxyethanamine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-methylcyclohexyl)oxyethanamine;ethane
PubChem CID159592943
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN,N-dimethyl-2-(4-methylcyclohexyl)oxyethanamine;ethane
SMILESCC.CC1CCC(OCCN(C)C)CC1
InChIInChI=1S/C11H23NO.C2H6/c1-10-4-6-11(7-5-10)13-9-8-12(2)3;1-2/h10-11H,4-9H2,1-3H3;1-2H3
InChIKeyMKLWCNSQFQQSGL-UHFFFAOYSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-methylcyclohexyl)oxyethanamine;ethane?
The IUPAC name of N,N-dimethyl-2-(4-methylcyclohexyl)oxyethanamine;ethane (CID 159592943) is N,N-dimethyl-2-(4-methylcyclohexyl)oxyethanamine;ethane.
What is the SMILES notation for N,N-dimethyl-2-(4-methylcyclohexyl)oxyethanamine;ethane?
The canonical SMILES for N,N-dimethyl-2-(4-methylcyclohexyl)oxyethanamine;ethane is CC.CC1CCC(OCCN(C)C)CC1.
What is the InChIKey of N,N-dimethyl-2-(4-methylcyclohexyl)oxyethanamine;ethane?
The InChIKey is MKLWCNSQFQQSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.C2H6/c1-10-4-6-11(7-5-10)13-9-8-12(2)3;1-2/h10-11H,4-9H2,1-3H3;1-2H3.
What are the key properties of N,N-dimethyl-2-(4-methylcyclohexyl)oxyethanamine;ethane?
N,N-dimethyl-2-(4-methylcyclohexyl)oxyethanamine;ethane has a molecular weight of 215.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-methylcyclohexyl)oxyethanamine;ethane is sourced from PubChem (CID 159592943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).