4-methoxy-4-methyl-N-propyl-1-(thiolan-3-yl)pentan-1-amine

C14H29NOS — CID 103031249

IUPAC4-methoxy-4-methyl-N-propyl-1-(thiolan-3-yl)pentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)C1CCSC1
InChIInChI=1S/C14H29NOS/c1-5-9-15-13(12-7-10-17-11-12)6-8-14(2,3)16-4/h12-13,15H,5-11H2,1-4H3
InChIKeyJFTRTSHCRCOQCW-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.31
Rot. Bonds8

About 4-methoxy-4-methyl-N-propyl-1-(thiolan-3-yl)pentan-1-amine

4-methoxy-4-methyl-N-propyl-1-(thiolan-3-yl)pentan-1-amine (PubChem CID 103031249) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-propyl-1-(thiolan-3-yl)pentan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-propyl-1-(thiolan-3-yl)pentan-1-amine
PubChem CID103031249
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name4-methoxy-4-methyl-N-propyl-1-(thiolan-3-yl)pentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)C1CCSC1
InChIInChI=1S/C14H29NOS/c1-5-9-15-13(12-7-10-17-11-12)6-8-14(2,3)16-4/h12-13,15H,5-11H2,1-4H3
InChIKeyJFTRTSHCRCOQCW-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-propyl-1-(thiolan-3-yl)pentan-1-amine?
The IUPAC name of 4-methoxy-4-methyl-N-propyl-1-(thiolan-3-yl)pentan-1-amine (CID 103031249) is 4-methoxy-4-methyl-N-propyl-1-(thiolan-3-yl)pentan-1-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-propyl-1-(thiolan-3-yl)pentan-1-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-propyl-1-(thiolan-3-yl)pentan-1-amine is CCCNC(CCC(C)(C)OC)C1CCSC1.
What is the InChIKey of 4-methoxy-4-methyl-N-propyl-1-(thiolan-3-yl)pentan-1-amine?
The InChIKey is JFTRTSHCRCOQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-5-9-15-13(12-7-10-17-11-12)6-8-14(2,3)16-4/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-N-propyl-1-(thiolan-3-yl)pentan-1-amine?
4-methoxy-4-methyl-N-propyl-1-(thiolan-3-yl)pentan-1-amine has a molecular weight of 259.46 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-propyl-1-(thiolan-3-yl)pentan-1-amine is sourced from PubChem (CID 103031249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).