[4,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexyl]methanamine

C14H23NS — CID 65390783

IUPAC[4,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(Cc2cccs2)CC1
InChIInChI=1S/C14H23NS/c1-13(2)5-7-14(11-15,8-6-13)10-12-4-3-9-16-12/h3-4,9H,5-8,10-11,15H2,1-2H3
InChIKeyYAFUXIRVFAUNBA-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.84
Rot. Bonds3

About [4,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexyl]methanamine

[4,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexyl]methanamine (PubChem CID 65390783) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is [4,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexyl]methanamine
PubChem CID65390783
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name[4,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(Cc2cccs2)CC1
InChIInChI=1S/C14H23NS/c1-13(2)5-7-14(11-15,8-6-13)10-12-4-3-9-16-12/h3-4,9H,5-8,10-11,15H2,1-2H3
InChIKeyYAFUXIRVFAUNBA-UHFFFAOYSA-N
XLogP3.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexyl]methanamine
CID 65390377
[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]methanamine
CID 63773916
1-(aminomethyl)-N,3,3-trimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 80705684
2-[[1-(chloromethyl)cyclobutyl]methyl]thiophene
CID 66036450
2-[(4,4-dimethylcyclohexyl)methyl]thiophene
CID 141443372
1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 80706068
[4,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexyl]methanamine
CID 65390376
2-[1-(thiophen-2-ylmethoxymethyl)cyclopropyl]ethanamine
CID 65495835
[1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 65391761
4-amino-4-(thiophen-2-ylmethyl)cyclohexan-1-ol
CID 130531663
2-methyl-N-[[1-(thiophen-2-ylmethyl)cyclobutyl]methyl]propan-2-amine
CID 65194455
1-(aminomethyl)-3,3,5,5-tetramethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 112682362

Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexyl]methanamine?
The IUPAC name of [4,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexyl]methanamine (CID 65390783) is [4,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexyl]methanamine.
What is the SMILES notation for [4,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexyl]methanamine?
The canonical SMILES for [4,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexyl]methanamine is CC1(C)CCC(CN)(Cc2cccs2)CC1.
What is the InChIKey of [4,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexyl]methanamine?
The InChIKey is YAFUXIRVFAUNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-13(2)5-7-14(11-15,8-6-13)10-12-4-3-9-16-12/h3-4,9H,5-8,10-11,15H2,1-2H3.
What are the key properties of [4,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexyl]methanamine?
[4,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexyl]methanamine has a molecular weight of 237.41 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexyl]methanamine is sourced from PubChem (CID 65390783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).