N-[(3-ethylcyclohexyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine

C18H31NS — CID 104992458

IUPACN-[(3-ethylcyclohexyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sccc1CC)C1CCCC(CC)C1
InChIInChI=1S/C18H31NS/c1-4-11-19-17(18-15(6-3)10-12-20-18)16-9-7-8-14(5-2)13-16/h10,12,14,16-17,19H,4-9,11,13H2,1-3H3
InChIKeyXDBVGGYZJOICOL-UHFFFAOYSA-N
MW293.52 g/mol
LogP5.57
Rot. Bonds7

About N-[(3-ethylcyclohexyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine

N-[(3-ethylcyclohexyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 104992458) has the molecular formula C18H31NS and a molecular weight of 293.52 g/mol. Its IUPAC name is N-[(3-ethylcyclohexyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylcyclohexyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
PubChem CID104992458
Molecular FormulaC18H31NS
Molecular Weight293.52 g/mol
Exact Mass293.22
IUPAC NameN-[(3-ethylcyclohexyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sccc1CC)C1CCCC(CC)C1
InChIInChI=1S/C18H31NS/c1-4-11-19-17(18-15(6-3)10-12-20-18)16-9-7-8-14(5-2)13-16/h10,12,14,16-17,19H,4-9,11,13H2,1-3H3
InChIKeyXDBVGGYZJOICOL-UHFFFAOYSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.52
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethylcyclohexyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 104992362
N-[(3-ethylthiophen-2-yl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104992089
N-[(3-ethylcyclohexyl)-(2-ethylphenyl)methyl]propan-1-amine
CID 104992292
1-(3-ethylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 79987761
N-[2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 104986473
N-[(3-ethylcyclohexyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105156132
N-[(3-chloro-4-methylphenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine
CID 104992258
N-[1-(3-ethylcyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79824497
N-[cycloheptyl-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 105027707
N-[(3-ethylcyclohexyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105156057
2-cyclobutyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 115863467
N-[(4-bromo-2-fluorophenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine
CID 114906767

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylcyclohexyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-ethylcyclohexyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine (CID 104992458) is N-[(3-ethylcyclohexyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethylcyclohexyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-ethylcyclohexyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1sccc1CC)C1CCCC(CC)C1.
What is the InChIKey of N-[(3-ethylcyclohexyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is XDBVGGYZJOICOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NS/c1-4-11-19-17(18-15(6-3)10-12-20-18)16-9-7-8-14(5-2)13-16/h10,12,14,16-17,19H,4-9,11,13H2,1-3H3.
What are the key properties of N-[(3-ethylcyclohexyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine?
N-[(3-ethylcyclohexyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 293.52 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylcyclohexyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 104992458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).