1-(oxolan-2-yl)-N-(2-pentylsulfanylethyl)ethanamine

C13H27NOS — CID 107757086

IUPAC1-(oxolan-2-yl)-N-(2-pentylsulfanylethyl)ethanamine
SMILESCCCCCSCCNC(C)C1CCCO1
InChIInChI=1S/C13H27NOS/c1-3-4-5-10-16-11-8-14-12(2)13-7-6-9-15-13/h12-14H,3-11H2,1-2H3
InChIKeyNVJMCMAHMBLMMX-UHFFFAOYSA-N
MW245.43 g/mol
LogP3.07
Rot. Bonds9

About 1-(oxolan-2-yl)-N-(2-pentylsulfanylethyl)ethanamine

1-(oxolan-2-yl)-N-(2-pentylsulfanylethyl)ethanamine (PubChem CID 107757086) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-(2-pentylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-(2-pentylsulfanylethyl)ethanamine
PubChem CID107757086
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name1-(oxolan-2-yl)-N-(2-pentylsulfanylethyl)ethanamine
SMILESCCCCCSCCNC(C)C1CCCO1
InChIInChI=1S/C13H27NOS/c1-3-4-5-10-16-11-8-14-12(2)13-7-6-9-15-13/h12-14H,3-11H2,1-2H3
InChIKeyNVJMCMAHMBLMMX-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[1-(oxolan-2-yl)ethyl]butan-1-amine
CID 104531009
N'-methyl-N'-(3-methylsulfanylpropyl)-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
CID 114238378
N-[2-(2,5-dimethylphenyl)sulfanylethyl]-1-(oxolan-2-yl)ethanamine
CID 62584856
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine
CID 62577213
N-[2-(4-tert-butylphenyl)sulfanylethyl]-1-(oxolan-2-yl)ethanamine
CID 62579125
5-[1-(oxolan-2-yl)ethylamino]pentanoic acid
CID 103238581
1-(oxolan-2-yl)-N-propylnonan-1-amine
CID 65328476
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 115479076
1-(oxolan-2-yl)-N-(2-pyridin-2-ylsulfanylethyl)ethanamine
CID 62579205
N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 79183686
N-[2-(cyclopropylmethoxy)ethyl]-1-(oxolan-2-yl)ethanamine
CID 62599763
N-(2-pentylsulfanylethyl)cyclopentanamine
CID 107756998

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-(2-pentylsulfanylethyl)ethanamine?
The IUPAC name of 1-(oxolan-2-yl)-N-(2-pentylsulfanylethyl)ethanamine (CID 107757086) is 1-(oxolan-2-yl)-N-(2-pentylsulfanylethyl)ethanamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-(2-pentylsulfanylethyl)ethanamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-(2-pentylsulfanylethyl)ethanamine is CCCCCSCCNC(C)C1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-N-(2-pentylsulfanylethyl)ethanamine?
The InChIKey is NVJMCMAHMBLMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-3-4-5-10-16-11-8-14-12(2)13-7-6-9-15-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-(oxolan-2-yl)-N-(2-pentylsulfanylethyl)ethanamine?
1-(oxolan-2-yl)-N-(2-pentylsulfanylethyl)ethanamine has a molecular weight of 245.43 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-(2-pentylsulfanylethyl)ethanamine is sourced from PubChem (CID 107757086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).