1-(2,2-dimethylcyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine

C14H23NS — CID 107189170

IUPAC1-(2,2-dimethylcyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine
SMILESCNC(c1ccsc1)C1CCCCC1(C)C
InChIInChI=1S/C14H23NS/c1-14(2)8-5-4-6-12(14)13(15-3)11-7-9-16-10-11/h7,9-10,12-13,15H,4-6,8H2,1-3H3
InChIKeyBYOKUEIFXSPVAL-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.22
Rot. Bonds3

About 1-(2,2-dimethylcyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine

1-(2,2-dimethylcyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine (PubChem CID 107189170) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine
PubChem CID107189170
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name1-(2,2-dimethylcyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine
SMILESCNC(c1ccsc1)C1CCCCC1(C)C
InChIInChI=1S/C14H23NS/c1-14(2)8-5-4-6-12(14)13(15-3)11-7-9-16-10-11/h7,9-10,12-13,15H,4-6,8H2,1-3H3
InChIKeyBYOKUEIFXSPVAL-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107177248
1-(4-chlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107177171
1-(2,2-dimethylcyclohexyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 107177149
1-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107177267
1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 107177306
1-(4,4-difluorocyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 105154096
1-(1,1-dioxothian-2-yl)-N-methyl-1-thiophen-3-ylmethanamine
CID 104988457
1-(2,2-dimethylcyclohexyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine
CID 107178220
1-(2,2-dimethylcyclopentyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 107188518
1-(2,2-dimethylcyclopentyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 107188705
1-(2,2-dimethylcyclopentyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 107177179
1-(2,4-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107177661

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine (CID 107189170) is 1-(2,2-dimethylcyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine is CNC(c1ccsc1)C1CCCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine?
The InChIKey is BYOKUEIFXSPVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-14(2)8-5-4-6-12(14)13(15-3)11-7-9-16-10-11/h7,9-10,12-13,15H,4-6,8H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine?
1-(2,2-dimethylcyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine has a molecular weight of 237.41 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 107189170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).