N-(2-propylhexyl)thiolan-3-amine

C13H27NS — CID 115727503

IUPACN-(2-propylhexyl)thiolan-3-amine
SMILESCCCCC(CCC)CNC1CCSC1
InChIInChI=1S/C13H27NS/c1-3-5-7-12(6-4-2)10-14-13-8-9-15-11-13/h12-14H,3-11H2,1-2H3
InChIKeyAXHUUMKSPZNJTL-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.69
Rot. Bonds8

About N-(2-propylhexyl)thiolan-3-amine

N-(2-propylhexyl)thiolan-3-amine (PubChem CID 115727503) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is N-(2-propylhexyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(2-propylhexyl)thiolan-3-amine
PubChem CID115727503
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC NameN-(2-propylhexyl)thiolan-3-amine
SMILESCCCCC(CCC)CNC1CCSC1
InChIInChI=1S/C13H27NS/c1-3-5-7-12(6-4-2)10-14-13-8-9-15-11-13/h12-14H,3-11H2,1-2H3
InChIKeyAXHUUMKSPZNJTL-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(thiolan-3-ylamino)methyl]hexan-1-ol
CID 115725378
3-[(thian-3-ylamino)methyl]hexan-1-ol
CID 115882200
3-[(thian-4-ylamino)methyl]hexan-1-ol
CID 111470638
N-pentylthiolan-3-amine
CID 43177655
3-[(thietan-3-ylamino)methyl]hexan-1-ol
CID 135393035
N-(2-ethylhexyl)cyclopropanamine
CID 43163806
(2S)-1-[[(3S)-thiolan-3-yl]amino]propan-2-ol
CID 93033310
1-octoxy-3-(thiolan-3-ylamino)propan-2-ol
CID 103062780
N-(2,2-dimethoxyethyl)thiolan-3-amine
CID 60663265
N-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 55200354
N-(2-ethoxypropyl)thiolan-3-amine
CID 115724223
3-ethyl-1-(thiolan-3-yl)heptan-1-ol
CID 105080644

Frequently Asked Questions

What is the IUPAC name of N-(2-propylhexyl)thiolan-3-amine?
The IUPAC name of N-(2-propylhexyl)thiolan-3-amine (CID 115727503) is N-(2-propylhexyl)thiolan-3-amine.
What is the SMILES notation for N-(2-propylhexyl)thiolan-3-amine?
The canonical SMILES for N-(2-propylhexyl)thiolan-3-amine is CCCCC(CCC)CNC1CCSC1.
What is the InChIKey of N-(2-propylhexyl)thiolan-3-amine?
The InChIKey is AXHUUMKSPZNJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-3-5-7-12(6-4-2)10-14-13-8-9-15-11-13/h12-14H,3-11H2,1-2H3.
What are the key properties of N-(2-propylhexyl)thiolan-3-amine?
N-(2-propylhexyl)thiolan-3-amine has a molecular weight of 229.43 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propylhexyl)thiolan-3-amine is sourced from PubChem (CID 115727503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).