1-(4-tert-butylcyclohexyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine

C16H26ClNS — CID 55196430

IUPAC1-(4-tert-butylcyclohexyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)s1)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H26ClNS/c1-16(2,3)12-7-5-11(6-8-12)15(18-4)13-9-10-14(17)19-13/h9-12,15,18H,5-8H2,1-4H3
InChIKeyFDZXIUQHLPZGJV-UHFFFAOYSA-N
MW299.91 g/mol
LogP5.51
Rot. Bonds3

About 1-(4-tert-butylcyclohexyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine

1-(4-tert-butylcyclohexyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine (PubChem CID 55196430) has the molecular formula C16H26ClNS and a molecular weight of 299.91 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
PubChem CID55196430
Molecular FormulaC16H26ClNS
Molecular Weight299.91 g/mol
Exact Mass299.15
IUPAC Name1-(4-tert-butylcyclohexyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)s1)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H26ClNS/c1-16(2,3)12-7-5-11(6-8-12)15(18-4)13-9-10-14(17)19-13/h9-12,15,18H,5-8H2,1-4H3
InChIKeyFDZXIUQHLPZGJV-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.91
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(4-tert-butylcyclohexyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105232678
N-methyl-1-(5-methylthiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105162186
1-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107177267
1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66475536
1-(4-tert-butylcyclohexyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 63501939
N-[(4-tert-butylcyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 63504364
1-(4-tert-butylpiperidin-1-yl)-1-(5-chlorothiophen-2-yl)propan-2-amine
CID 62089681
1-(3-bromo-5-methylthiophen-2-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine
CID 65279451
N-[(5-chlorothiophen-2-yl)-cycloheptylmethyl]ethanamine
CID 63508833
1-(4-tert-butylcyclohexyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 65400352
N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine
CID 43497051
[(5-chlorothiophen-2-yl)-(4,4-difluorocyclohexyl)methyl]hydrazine
CID 105328252

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine (CID 55196430) is 1-(4-tert-butylcyclohexyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine is CNC(c1ccc(Cl)s1)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine?
The InChIKey is FDZXIUQHLPZGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNS/c1-16(2,3)12-7-5-11(6-8-12)15(18-4)13-9-10-14(17)19-13/h9-12,15,18H,5-8H2,1-4H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine?
1-(4-tert-butylcyclohexyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine has a molecular weight of 299.91 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 55196430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).