N-methyl-1-(4-propan-2-ylcyclohexyl)-2-thiophen-3-ylethanamine

C16H27NS — CID 65423218

IUPACN-methyl-1-(4-propan-2-ylcyclohexyl)-2-thiophen-3-ylethanamine
SMILESCNC(Cc1ccsc1)C1CCC(C(C)C)CC1
InChIInChI=1S/C16H27NS/c1-12(2)14-4-6-15(7-5-14)16(17-3)10-13-8-9-18-11-13/h8-9,11-12,14-17H,4-7,10H2,1-3H3
InChIKeyORTIPDSLHKGLDR-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.34
Rot. Bonds5

About N-methyl-1-(4-propan-2-ylcyclohexyl)-2-thiophen-3-ylethanamine

N-methyl-1-(4-propan-2-ylcyclohexyl)-2-thiophen-3-ylethanamine (PubChem CID 65423218) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is N-methyl-1-(4-propan-2-ylcyclohexyl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-propan-2-ylcyclohexyl)-2-thiophen-3-ylethanamine
PubChem CID65423218
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC NameN-methyl-1-(4-propan-2-ylcyclohexyl)-2-thiophen-3-ylethanamine
SMILESCNC(Cc1ccsc1)C1CCC(C(C)C)CC1
InChIInChI=1S/C16H27NS/c1-12(2)14-4-6-15(7-5-14)16(17-3)10-13-8-9-18-11-13/h8-9,11-12,14-17H,4-7,10H2,1-3H3
InChIKeyORTIPDSLHKGLDR-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(3-methylcyclopentyl)-2-thiophen-3-ylethanamine
CID 65413967
1-cyclopropyl-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 63354899
1-cyclopropyl-N-(1-thiophen-3-ylpropan-2-yl)butan-1-amine
CID 115769840
3-cyclopropyl-1-thiophen-3-ylbutan-2-amine
CID 83155210
N-methyl-1-(5-methyloxolan-2-yl)-2-thiophen-3-ylethanamine
CID 115845115
4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 63247711
N-methyl-1-(thian-4-yl)-3-thiophen-3-ylpropan-2-amine
CID 105137524
2-cyclopentyl-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 112569789
N-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 62907430
1-(3-ethylcyclopentyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 65411999
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 103040140
4-cyclohexyl-N-methyl-1-thiophen-3-ylbutan-2-amine
CID 61077655

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propan-2-ylcyclohexyl)-2-thiophen-3-ylethanamine?
The IUPAC name of N-methyl-1-(4-propan-2-ylcyclohexyl)-2-thiophen-3-ylethanamine (CID 65423218) is N-methyl-1-(4-propan-2-ylcyclohexyl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-methyl-1-(4-propan-2-ylcyclohexyl)-2-thiophen-3-ylethanamine?
The canonical SMILES for N-methyl-1-(4-propan-2-ylcyclohexyl)-2-thiophen-3-ylethanamine is CNC(Cc1ccsc1)C1CCC(C(C)C)CC1.
What is the InChIKey of N-methyl-1-(4-propan-2-ylcyclohexyl)-2-thiophen-3-ylethanamine?
The InChIKey is ORTIPDSLHKGLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-12(2)14-4-6-15(7-5-14)16(17-3)10-13-8-9-18-11-13/h8-9,11-12,14-17H,4-7,10H2,1-3H3.
What are the key properties of N-methyl-1-(4-propan-2-ylcyclohexyl)-2-thiophen-3-ylethanamine?
N-methyl-1-(4-propan-2-ylcyclohexyl)-2-thiophen-3-ylethanamine has a molecular weight of 265.47 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propan-2-ylcyclohexyl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 65423218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).