3-cyclohexyl-N-propyl-1-(thiolan-3-yl)propan-1-amine

C16H31NS — CID 114192980

IUPAC3-cyclohexyl-N-propyl-1-(thiolan-3-yl)propan-1-amine
SMILESCCCNC(CCC1CCCCC1)C1CCSC1
InChIInChI=1S/C16H31NS/c1-2-11-17-16(15-10-12-18-13-15)9-8-14-6-4-3-5-7-14/h14-17H,2-13H2,1H3
InChIKeyBASBXAMEVAZQDU-UHFFFAOYSA-N
MW269.50 g/mol
LogP4.47
Rot. Bonds7

About 3-cyclohexyl-N-propyl-1-(thiolan-3-yl)propan-1-amine

3-cyclohexyl-N-propyl-1-(thiolan-3-yl)propan-1-amine (PubChem CID 114192980) has the molecular formula C16H31NS and a molecular weight of 269.50 g/mol. Its IUPAC name is 3-cyclohexyl-N-propyl-1-(thiolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyl-N-propyl-1-(thiolan-3-yl)propan-1-amine
PubChem CID114192980
Molecular FormulaC16H31NS
Molecular Weight269.50 g/mol
Exact Mass269.22
IUPAC Name3-cyclohexyl-N-propyl-1-(thiolan-3-yl)propan-1-amine
SMILESCCCNC(CCC1CCCCC1)C1CCSC1
InChIInChI=1S/C16H31NS/c1-2-11-17-16(15-10-12-18-13-15)9-8-14-6-4-3-5-7-14/h14-17H,2-13H2,1H3
InChIKeyBASBXAMEVAZQDU-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

3-cyclopentyl-N-propyl-1-(thiolan-3-yl)propan-1-amine
CID 114193134
3-cyclopentyl-1-cyclopropyl-N-propylpropan-1-amine
CID 63354880
3-cycloheptyl-1-cyclopropyl-N-ethylpropan-1-amine
CID 82924608
N-[2-propoxy-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105165367
N-[1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105081992
1-cyclohexyl-N-propylhexan-3-amine
CID 63400154
1-cyclohexyl-4-methyl-N-propylpentan-3-amine
CID 63399865
1-cyclobutyl-4-cyclopentyl-N-propylbutan-2-amine
CID 115863549
N-[1-cyclobutyl-2-(thian-4-yl)ethyl]propan-1-amine
CID 105187409
N-[2-(3,5-difluorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105412296
1-cyclopropyl-N-propylhexan-1-amine
CID 62600983
5-cyclopentyl-N-propylpentan-2-amine
CID 64504022

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-propyl-1-(thiolan-3-yl)propan-1-amine?
The IUPAC name of 3-cyclohexyl-N-propyl-1-(thiolan-3-yl)propan-1-amine (CID 114192980) is 3-cyclohexyl-N-propyl-1-(thiolan-3-yl)propan-1-amine.
What is the SMILES notation for 3-cyclohexyl-N-propyl-1-(thiolan-3-yl)propan-1-amine?
The canonical SMILES for 3-cyclohexyl-N-propyl-1-(thiolan-3-yl)propan-1-amine is CCCNC(CCC1CCCCC1)C1CCSC1.
What is the InChIKey of 3-cyclohexyl-N-propyl-1-(thiolan-3-yl)propan-1-amine?
The InChIKey is BASBXAMEVAZQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NS/c1-2-11-17-16(15-10-12-18-13-15)9-8-14-6-4-3-5-7-14/h14-17H,2-13H2,1H3.
What are the key properties of 3-cyclohexyl-N-propyl-1-(thiolan-3-yl)propan-1-amine?
3-cyclohexyl-N-propyl-1-(thiolan-3-yl)propan-1-amine has a molecular weight of 269.50 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-propyl-1-(thiolan-3-yl)propan-1-amine is sourced from PubChem (CID 114192980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).