N-[(3-ethylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine

C15H29NS — CID 105156124

IUPACN-[(3-ethylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine
SMILESCCNC(C1CCSC1)C1CCCC(CC)C1
InChIInChI=1S/C15H29NS/c1-3-12-6-5-7-13(10-12)15(16-4-2)14-8-9-17-11-14/h12-16H,3-11H2,1-2H3
InChIKeyAUNYITWDFUJUFY-UHFFFAOYSA-N
MW255.47 g/mol
LogP3.93
Rot. Bonds5

About N-[(3-ethylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine

N-[(3-ethylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine (PubChem CID 105156124) has the molecular formula C15H29NS and a molecular weight of 255.47 g/mol. Its IUPAC name is N-[(3-ethylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine
PubChem CID105156124
Molecular FormulaC15H29NS
Molecular Weight255.47 g/mol
Exact Mass255.20
IUPAC NameN-[(3-ethylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine
SMILESCCNC(C1CCSC1)C1CCCC(CC)C1
InChIInChI=1S/C15H29NS/c1-3-12-6-5-7-13(10-12)15(16-4-2)14-8-9-17-11-14/h12-16H,3-11H2,1-2H3
InChIKeyAUNYITWDFUJUFY-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-bicyclo[3.1.0]hexanyl-(3-ethylcyclohexyl)methyl]ethanamine
CID 104992333
N-[(4-methylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine
CID 105153759
N-[cycloheptyl-(4-ethylcyclohexyl)methyl]ethanamine
CID 65399653
1-(3-ethylcyclohexyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65394157
N-ethyl-2-methyl-1-(thiolan-3-yl)propan-1-amine
CID 105078063
[1-(3-ethylcyclohexyl)-2-(thian-4-yl)ethyl]hydrazine
CID 105313803
1-(3-ethylcyclohexyl)-2-(thian-4-yl)ethanol
CID 105104403
N-ethyl-1-(3-ethylcyclohexyl)decan-1-amine
CID 65415153
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-ethylcyclohexyl)methyl]ethanamine
CID 64984610
N-ethyl-1-(4-ethylcycloheptyl)-2-methylpropan-1-amine
CID 79298525
N-ethyl-1-(thiolan-3-yl)prop-2-yn-1-amine
CID 105158299
N-[cyclopentyl-(3-methylcyclohexyl)methyl]ethanamine
CID 63415340

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3-ethylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine (CID 105156124) is N-[(3-ethylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine is CCNC(C1CCSC1)C1CCCC(CC)C1.
What is the InChIKey of N-[(3-ethylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine?
The InChIKey is AUNYITWDFUJUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NS/c1-3-12-6-5-7-13(10-12)15(16-4-2)14-8-9-17-11-14/h12-16H,3-11H2,1-2H3.
What are the key properties of N-[(3-ethylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine?
N-[(3-ethylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine has a molecular weight of 255.47 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 105156124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).