1-[4-ethyl-2-(2-ethylbutyl)cyclohexyl]-N-methylmethanamine

C16H33N — CID 82934632

IUPAC1-[4-ethyl-2-(2-ethylbutyl)cyclohexyl]-N-methylmethanamine
SMILESCCC(CC)CC1CC(CC)CCC1CNC
InChIInChI=1S/C16H33N/c1-5-13(6-2)10-16-11-14(7-3)8-9-15(16)12-17-4/h13-17H,5-12H2,1-4H3
InChIKeyYHMKDSZAMPGFAY-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.47
Rot. Bonds7

About 1-[4-ethyl-2-(2-ethylbutyl)cyclohexyl]-N-methylmethanamine

1-[4-ethyl-2-(2-ethylbutyl)cyclohexyl]-N-methylmethanamine (PubChem CID 82934632) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 1-[4-ethyl-2-(2-ethylbutyl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-ethyl-2-(2-ethylbutyl)cyclohexyl]-N-methylmethanamine
PubChem CID82934632
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name1-[4-ethyl-2-(2-ethylbutyl)cyclohexyl]-N-methylmethanamine
SMILESCCC(CC)CC1CC(CC)CCC1CNC
InChIInChI=1S/C16H33N/c1-5-13(6-2)10-16-11-14(7-3)8-9-15(16)12-17-4/h13-17H,5-12H2,1-4H3
InChIKeyYHMKDSZAMPGFAY-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-ethyl-2-(2-ethylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 82935432
1-[4-ethyl-2-(methoxymethyl)cyclohexyl]-N-methylmethanamine
CID 81031850
4-ethyl-2-(2-ethylbutyl)cyclohexan-1-ol
CID 82929938
1-[2-(cyclohexylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81031700
N-[[2-(2-ethylbutyl)-4-propylcyclohexyl]methyl]ethanamine
CID 82935925
1-[4-ethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine
CID 106735592
1-[4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 81032455
1-[4-ethyl-2-(pyridin-4-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 81031325
1-[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81031403
1-[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]-N-methylmethanamine
CID 81031697
N-methyl-1-[2-(2-methylbutyl)cyclohexyl]methanamine
CID 81027427
1-bromo-4-ethyl-2-(2-ethylhexyl)cyclohexane
CID 63472984

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-(2-ethylbutyl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-ethyl-2-(2-ethylbutyl)cyclohexyl]-N-methylmethanamine (CID 82934632) is 1-[4-ethyl-2-(2-ethylbutyl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-ethyl-2-(2-ethylbutyl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-ethyl-2-(2-ethylbutyl)cyclohexyl]-N-methylmethanamine is CCC(CC)CC1CC(CC)CCC1CNC.
What is the InChIKey of 1-[4-ethyl-2-(2-ethylbutyl)cyclohexyl]-N-methylmethanamine?
The InChIKey is YHMKDSZAMPGFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-5-13(6-2)10-16-11-14(7-3)8-9-15(16)12-17-4/h13-17H,5-12H2,1-4H3.
What are the key properties of 1-[4-ethyl-2-(2-ethylbutyl)cyclohexyl]-N-methylmethanamine?
1-[4-ethyl-2-(2-ethylbutyl)cyclohexyl]-N-methylmethanamine has a molecular weight of 239.45 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-(2-ethylbutyl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 82934632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).