N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclohexyl]ethyl]propan-1-amine

C18H31NS — CID 65304934

IUPACN-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclohexyl]ethyl]propan-1-amine
SMILESCCCNCCC1(CCc2sccc2C)CCCCC1
InChIInChI=1S/C18H31NS/c1-3-13-19-14-12-18(9-5-4-6-10-18)11-7-17-16(2)8-15-20-17/h8,15,19H,3-7,9-14H2,1-2H3
InChIKeyGGSXHVZJVWSHDH-UHFFFAOYSA-N
MW293.52 g/mol
LogP5.33
Rot. Bonds8

About N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclohexyl]ethyl]propan-1-amine

N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclohexyl]ethyl]propan-1-amine (PubChem CID 65304934) has the molecular formula C18H31NS and a molecular weight of 293.52 g/mol. Its IUPAC name is N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclohexyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclohexyl]ethyl]propan-1-amine
PubChem CID65304934
Molecular FormulaC18H31NS
Molecular Weight293.52 g/mol
Exact Mass293.22
IUPAC NameN-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclohexyl]ethyl]propan-1-amine
SMILESCCCNCCC1(CCc2sccc2C)CCCCC1
InChIInChI=1S/C18H31NS/c1-3-13-19-14-12-18(9-5-4-6-10-18)11-7-17-16(2)8-15-20-17/h8,15,19H,3-7,9-14H2,1-2H3
InChIKeyGGSXHVZJVWSHDH-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.52
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]ethyl]propan-1-amine
CID 65303941
N-[2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]ethyl]propan-1-amine
CID 65303510
N-[2-[1-[2-(5-chloro-4-methylthiophen-2-yl)ethyl]cyclopentyl]ethyl]propan-1-amine
CID 102765265
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-methylthiophen-2-yl)ethanamine
CID 115245948
3-methyl-5-(3-methylthiophen-2-yl)-N-propylpentan-1-amine
CID 65303987
N-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 62724982
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 55195471
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3-methylthiophen-2-yl)methanamine
CID 115449118
2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclopentyl]-N-ethylethanamine
CID 65303868
2-[1-[2-(5-bromo-4-methylthiophen-2-yl)ethyl]cyclopentyl]-N-ethylethanamine
CID 79991176
N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 103014466
N-[[1-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 63507651

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclohexyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclohexyl]ethyl]propan-1-amine (CID 65304934) is N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclohexyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclohexyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclohexyl]ethyl]propan-1-amine is CCCNCCC1(CCc2sccc2C)CCCCC1.
What is the InChIKey of N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclohexyl]ethyl]propan-1-amine?
The InChIKey is GGSXHVZJVWSHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NS/c1-3-13-19-14-12-18(9-5-4-6-10-18)11-7-17-16(2)8-15-20-17/h8,15,19H,3-7,9-14H2,1-2H3.
What are the key properties of N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclohexyl]ethyl]propan-1-amine?
N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclohexyl]ethyl]propan-1-amine has a molecular weight of 293.52 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclohexyl]ethyl]propan-1-amine is sourced from PubChem (CID 65304934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).