1-[4-tert-butyl-1-(2-ethylhexyl)cyclohexyl]-N-methylmethanamine

C20H41N — CID 63507882

IUPAC1-[4-tert-butyl-1-(2-ethylhexyl)cyclohexyl]-N-methylmethanamine
SMILESCCCCC(CC)CC1(CNC)CCC(C(C)(C)C)CC1
InChIInChI=1S/C20H41N/c1-7-9-10-17(8-2)15-20(16-21-6)13-11-18(12-14-20)19(3,4)5/h17-18,21H,7-16H2,1-6H3
InChIKeyKZLIQBNGIYPHFS-UHFFFAOYSA-N
MW295.56 g/mol
LogP6.03
Rot. Bonds8

About 1-[4-tert-butyl-1-(2-ethylhexyl)cyclohexyl]-N-methylmethanamine

1-[4-tert-butyl-1-(2-ethylhexyl)cyclohexyl]-N-methylmethanamine (PubChem CID 63507882) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is 1-[4-tert-butyl-1-(2-ethylhexyl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-tert-butyl-1-(2-ethylhexyl)cyclohexyl]-N-methylmethanamine
PubChem CID63507882
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC Name1-[4-tert-butyl-1-(2-ethylhexyl)cyclohexyl]-N-methylmethanamine
SMILESCCCCC(CC)CC1(CNC)CCC(C(C)(C)C)CC1
InChIInChI=1S/C20H41N/c1-7-9-10-17(8-2)15-20(16-21-6)13-11-18(12-14-20)19(3,4)5/h17-18,21H,7-16H2,1-6H3
InChIKeyKZLIQBNGIYPHFS-UHFFFAOYSA-N
XLogP6.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butyl-1-pentylcyclohexyl)-N-methylmethanamine
CID 63509791
1-[4-(2-ethylhexyl)oxan-4-yl]-N-methylmethanamine
CID 55131214
N-[[1-(2-ethylhexyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65195011
4-tert-butyl-1-(2-ethylhexoxy)-1-(iodomethyl)cyclohexane
CID 114773371
[4-tert-butyl-1-(2-ethylbutyl)cyclohexyl]methanamine
CID 82930941
N-[[4-tert-butyl-1-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine
CID 63508058
4-butyl-1-(chloromethyl)-1-(2-ethylhexyl)cyclohexane
CID 66034185
1-[1-(2-ethylbutyl)cyclobutyl]-N-methylmethanamine
CID 82930955
1-(1-butan-2-yloxy-4-tert-butylcyclohexyl)-N-methylmethanamine
CID 62108397
[4-ethyl-1-(2-ethylhexyl)cyclohexyl]methanamine
CID 65393906
[1-(2-ethylhexyl)-4-propan-2-ylcyclohexyl]methanamine
CID 65425074
1-(4-tert-butyl-1-heptoxycyclohexyl)-N-methylmethanamine
CID 63474629

Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-1-(2-ethylhexyl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-tert-butyl-1-(2-ethylhexyl)cyclohexyl]-N-methylmethanamine (CID 63507882) is 1-[4-tert-butyl-1-(2-ethylhexyl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-tert-butyl-1-(2-ethylhexyl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-tert-butyl-1-(2-ethylhexyl)cyclohexyl]-N-methylmethanamine is CCCCC(CC)CC1(CNC)CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-[4-tert-butyl-1-(2-ethylhexyl)cyclohexyl]-N-methylmethanamine?
The InChIKey is KZLIQBNGIYPHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-7-9-10-17(8-2)15-20(16-21-6)13-11-18(12-14-20)19(3,4)5/h17-18,21H,7-16H2,1-6H3.
What are the key properties of 1-[4-tert-butyl-1-(2-ethylhexyl)cyclohexyl]-N-methylmethanamine?
1-[4-tert-butyl-1-(2-ethylhexyl)cyclohexyl]-N-methylmethanamine has a molecular weight of 295.56 g/mol, XLogP of 6.03, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-tert-butyl-1-(2-ethylhexyl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 63507882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).