3-methyl-N-propyl-1-(thiolan-2-yl)hexan-1-amine

C14H29NS — CID 80627756

IUPAC3-methyl-N-propyl-1-(thiolan-2-yl)hexan-1-amine
SMILESCCCNC(CC(C)CCC)C1CCCS1
InChIInChI=1S/C14H29NS/c1-4-7-12(3)11-13(15-9-5-2)14-8-6-10-16-14/h12-15H,4-11H2,1-3H3
InChIKeyLIVGMWBQWCEULK-UHFFFAOYSA-N
MW243.46 g/mol
LogP4.08
Rot. Bonds8

About 3-methyl-N-propyl-1-(thiolan-2-yl)hexan-1-amine

3-methyl-N-propyl-1-(thiolan-2-yl)hexan-1-amine (PubChem CID 80627756) has the molecular formula C14H29NS and a molecular weight of 243.46 g/mol. Its IUPAC name is 3-methyl-N-propyl-1-(thiolan-2-yl)hexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-1-(thiolan-2-yl)hexan-1-amine
PubChem CID80627756
Molecular FormulaC14H29NS
Molecular Weight243.46 g/mol
Exact Mass243.20
IUPAC Name3-methyl-N-propyl-1-(thiolan-2-yl)hexan-1-amine
SMILESCCCNC(CC(C)CCC)C1CCCS1
InChIInChI=1S/C14H29NS/c1-4-7-12(3)11-13(15-9-5-2)14-8-6-10-16-14/h12-15H,4-11H2,1-3H3
InChIKeyLIVGMWBQWCEULK-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-1-(thiolan-2-yl)pent-4-yn-1-amine
CID 80627873
5-methyl-N-propyl-1-(thian-2-yl)hexan-1-amine
CID 83161177
4,4,4-trifluoro-N-propyl-1-(thian-2-yl)butan-1-amine
CID 80626408
N-methyl-1-(thiolan-2-yl)butan-1-amine
CID 80621526
3-methylidene-N-propyl-1-(thiolan-2-yl)pentan-1-amine
CID 80626543
1-(2,2-dimethylcyclopropyl)-3-methyl-N-propylhexan-1-amine
CID 107004333
N-[2-(4-ethylphenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80627216
3-methyl-N-propyl-1-(4-propylcyclohexyl)hexan-1-amine
CID 65423977
3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105138024
3-methylidene-N-propyl-1-(thian-2-yl)pentan-1-amine
CID 80627297
N-[2-(2,6-dichlorophenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80627212
3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105137916

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-1-(thiolan-2-yl)hexan-1-amine?
The IUPAC name of 3-methyl-N-propyl-1-(thiolan-2-yl)hexan-1-amine (CID 80627756) is 3-methyl-N-propyl-1-(thiolan-2-yl)hexan-1-amine.
What is the SMILES notation for 3-methyl-N-propyl-1-(thiolan-2-yl)hexan-1-amine?
The canonical SMILES for 3-methyl-N-propyl-1-(thiolan-2-yl)hexan-1-amine is CCCNC(CC(C)CCC)C1CCCS1.
What is the InChIKey of 3-methyl-N-propyl-1-(thiolan-2-yl)hexan-1-amine?
The InChIKey is LIVGMWBQWCEULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NS/c1-4-7-12(3)11-13(15-9-5-2)14-8-6-10-16-14/h12-15H,4-11H2,1-3H3.
What are the key properties of 3-methyl-N-propyl-1-(thiolan-2-yl)hexan-1-amine?
3-methyl-N-propyl-1-(thiolan-2-yl)hexan-1-amine has a molecular weight of 243.46 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-1-(thiolan-2-yl)hexan-1-amine is sourced from PubChem (CID 80627756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).