N-ethyl-4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine

C15H29NOS — CID 80627166

IUPACN-ethyl-4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine
SMILESCCNC(CCCC1CCCO1)C1CCCCS1
InChIInChI=1S/C15H29NOS/c1-2-16-14(15-10-3-4-12-18-15)9-5-7-13-8-6-11-17-13/h13-16H,2-12H2,1H3
InChIKeyLATCWQLLMPQAMV-UHFFFAOYSA-N
MW271.47 g/mol
LogP3.60
Rot. Bonds7

About N-ethyl-4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine

N-ethyl-4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine (PubChem CID 80627166) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is N-ethyl-4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine
PubChem CID80627166
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC NameN-ethyl-4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine
SMILESCCNC(CCCC1CCCO1)C1CCCCS1
InChIInChI=1S/C15H29NOS/c1-2-16-14(15-10-3-4-12-18-15)9-5-7-13-8-6-11-17-13/h13-16H,2-12H2,1H3
InChIKeyLATCWQLLMPQAMV-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine
CID 80626361
N-ethyl-5,5,5-trifluoro-1-(thian-2-yl)pentan-1-amine
CID 115517503
N-ethyl-5,5,5-trifluoro-1-(thiolan-2-yl)pentan-1-amine
CID 115517497
1-cyclobutyl-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65164623
N-ethyl-1-methoxy-5-(oxolan-2-yl)pentan-2-amine
CID 65161819
1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine
CID 65328878
1-(2,2-dimethylcyclopropyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 107004583
[1-(3-ethyl-1,4-dithian-2-yl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105259943
N-ethyl-1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine
CID 65164289
5-methyl-N-propyl-1-(thian-2-yl)hexan-1-amine
CID 83161177
N-ethyl-1-(thian-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 80626497
N-ethyl-2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine
CID 80622502

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine?
The IUPAC name of N-ethyl-4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine (CID 80627166) is N-ethyl-4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine is CCNC(CCCC1CCCO1)C1CCCCS1.
What is the InChIKey of N-ethyl-4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine?
The InChIKey is LATCWQLLMPQAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-2-16-14(15-10-3-4-12-18-15)9-5-7-13-8-6-11-17-13/h13-16H,2-12H2,1H3.
What are the key properties of N-ethyl-4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine?
N-ethyl-4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine has a molecular weight of 271.47 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine is sourced from PubChem (CID 80627166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).