ethane;1-(4-ethylcyclohexyl)-N-methylmethanamine

C12H27N — CID 166157734

IUPACethane;1-(4-ethylcyclohexyl)-N-methylmethanamine
SMILESCC.CCC1CCC(CNC)CC1
InChIInChI=1S/C10H21N.C2H6/c1-3-9-4-6-10(7-5-9)8-11-2;1-2/h9-11H,3-8H2,1-2H3;1-2H3
InChIKeyNSGYKMRYYLPAJK-UHFFFAOYSA-N
MW185.36 g/mol
LogP3.45
Rot. Bonds3

About ethane;1-(4-ethylcyclohexyl)-N-methylmethanamine

ethane;1-(4-ethylcyclohexyl)-N-methylmethanamine (PubChem CID 166157734) has the molecular formula C12H27N and a molecular weight of 185.36 g/mol. Its IUPAC name is ethane;1-(4-ethylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Nameethane;1-(4-ethylcyclohexyl)-N-methylmethanamine
PubChem CID166157734
Molecular FormulaC12H27N
Molecular Weight185.36 g/mol
Exact Mass185.21
IUPAC Nameethane;1-(4-ethylcyclohexyl)-N-methylmethanamine
SMILESCC.CCC1CCC(CNC)CC1
InChIInChI=1S/C10H21N.C2H6/c1-3-9-4-6-10(7-5-9)8-11-2;1-2/h9-11H,3-8H2,1-2H3;1-2H3
InChIKeyNSGYKMRYYLPAJK-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-ethylcyclohexyl)-N-methylmethanamine?
The IUPAC name of ethane;1-(4-ethylcyclohexyl)-N-methylmethanamine (CID 166157734) is ethane;1-(4-ethylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for ethane;1-(4-ethylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for ethane;1-(4-ethylcyclohexyl)-N-methylmethanamine is CC.CCC1CCC(CNC)CC1.
What is the InChIKey of ethane;1-(4-ethylcyclohexyl)-N-methylmethanamine?
The InChIKey is NSGYKMRYYLPAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C2H6/c1-3-9-4-6-10(7-5-9)8-11-2;1-2/h9-11H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(4-ethylcyclohexyl)-N-methylmethanamine?
ethane;1-(4-ethylcyclohexyl)-N-methylmethanamine has a molecular weight of 185.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-ethylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 166157734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).