1-[4,4-dimethyl-2-(3-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine

C15H25NS — CID 81030626

IUPAC1-[4,4-dimethyl-2-(3-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)(C)CC1c1sccc1C
InChIInChI=1S/C15H25NS/c1-11-6-8-17-14(11)13-9-15(2,3)7-5-12(13)10-16-4/h6,8,12-13,16H,5,7,9-10H2,1-4H3
InChIKeyMZXVIIKWIRRLNI-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.19
Rot. Bonds3

About 1-[4,4-dimethyl-2-(3-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine

1-[4,4-dimethyl-2-(3-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine (PubChem CID 81030626) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 1-[4,4-dimethyl-2-(3-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4,4-dimethyl-2-(3-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine
PubChem CID81030626
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name1-[4,4-dimethyl-2-(3-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)(C)CC1c1sccc1C
InChIInChI=1S/C15H25NS/c1-11-6-8-17-14(11)13-9-15(2,3)7-5-12(13)10-16-4/h6,8,12-13,16H,5,7,9-10H2,1-4H3
InChIKeyMZXVIIKWIRRLNI-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4-dimethyl-2-phenylcyclohexyl)-N-methylmethanamine
CID 81031001
N-[[2-(3-chlorothiophen-2-yl)-4,4-dimethylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 107361308
1-(4,4-dimethyl-2-naphthalen-1-ylcyclohexyl)-N-methylmethanamine
CID 81021877
1-(4,4-dimethyl-2-pyrimidin-5-ylcyclohexyl)-N-methylmethanamine
CID 81030852
1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-N-methylmethanamine
CID 81021876
N-[(4,4-dimethyl-2-thiophen-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 81030814
1-[2-(3-bromothiophen-2-yl)cyclobutyl]-N-methylmethanamine
CID 81017794
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81021879
N-[[4,4-dimethyl-2-(2-methylphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81023531
1-[2-(3-ethoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81030403
1-[2-(3-cyclopropyloxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 114523600
1-[2-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81030407

Frequently Asked Questions

What is the IUPAC name of 1-[4,4-dimethyl-2-(3-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4,4-dimethyl-2-(3-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine (CID 81030626) is 1-[4,4-dimethyl-2-(3-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4,4-dimethyl-2-(3-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4,4-dimethyl-2-(3-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine is CNCC1CCC(C)(C)CC1c1sccc1C.
What is the InChIKey of 1-[4,4-dimethyl-2-(3-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine?
The InChIKey is MZXVIIKWIRRLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-11-6-8-17-14(11)13-9-15(2,3)7-5-12(13)10-16-4/h6,8,12-13,16H,5,7,9-10H2,1-4H3.
What are the key properties of 1-[4,4-dimethyl-2-(3-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine?
1-[4,4-dimethyl-2-(3-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine has a molecular weight of 251.44 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-dimethyl-2-(3-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81030626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).