3-[2-(methylamino)-5-propylcyclohexyl]sulfanylbutan-1-ol

C14H29NOS — CID 66136229

IUPAC3-[2-(methylamino)-5-propylcyclohexyl]sulfanylbutan-1-ol
SMILESCCCC1CCC(NC)C(SC(C)CCO)C1
InChIInChI=1S/C14H29NOS/c1-4-5-12-6-7-13(15-3)14(10-12)17-11(2)8-9-16/h11-16H,4-10H2,1-3H3
InChIKeyRQQRHNFWSVVFRD-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.05
Rot. Bonds7

About 3-[2-(methylamino)-5-propylcyclohexyl]sulfanylbutan-1-ol

3-[2-(methylamino)-5-propylcyclohexyl]sulfanylbutan-1-ol (PubChem CID 66136229) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 3-[2-(methylamino)-5-propylcyclohexyl]sulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[2-(methylamino)-5-propylcyclohexyl]sulfanylbutan-1-ol
PubChem CID66136229
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name3-[2-(methylamino)-5-propylcyclohexyl]sulfanylbutan-1-ol
SMILESCCCC1CCC(NC)C(SC(C)CCO)C1
InChIInChI=1S/C14H29NOS/c1-4-5-12-6-7-13(15-3)14(10-12)17-11(2)8-9-16/h11-16H,4-10H2,1-3H3
InChIKeyRQQRHNFWSVVFRD-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-propan-2-ylsulfanyl-4-propylcyclohexan-1-amine
CID 64634825
3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanylbutan-1-ol
CID 66135997
N-methyl-2-(3-methylbutyl)-4-propylcyclohexan-1-amine
CID 63403456
methyl 2-[2-(methylamino)-5-propylcyclohexyl]sulfanylacetate
CID 64612906
N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine
CID 83159163
3-[2-(propylamino)cyclopentyl]sulfanylbutan-1-ol
CID 66136887
2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)-4-propylcyclohexane-1,2-diamine
CID 78944026
3-[2-(ethylamino)cyclooctyl]sulfanylbutan-1-ol
CID 66139118
N-methyl-2-[[methyl(propan-2-yl)amino]methyl]-4-propylcyclohexan-1-amine
CID 55093934
2-[cyclopropyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol
CID 55094432
3-[4-(propylamino)oxan-3-yl]sulfanylbutan-1-ol
CID 66136218
2-(4-hydroxybutan-2-ylsulfanyl)-4-methylcyclohexane-1-carboxylic acid
CID 66137766

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)-5-propylcyclohexyl]sulfanylbutan-1-ol?
The IUPAC name of 3-[2-(methylamino)-5-propylcyclohexyl]sulfanylbutan-1-ol (CID 66136229) is 3-[2-(methylamino)-5-propylcyclohexyl]sulfanylbutan-1-ol.
What is the SMILES notation for 3-[2-(methylamino)-5-propylcyclohexyl]sulfanylbutan-1-ol?
The canonical SMILES for 3-[2-(methylamino)-5-propylcyclohexyl]sulfanylbutan-1-ol is CCCC1CCC(NC)C(SC(C)CCO)C1.
What is the InChIKey of 3-[2-(methylamino)-5-propylcyclohexyl]sulfanylbutan-1-ol?
The InChIKey is RQQRHNFWSVVFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-4-5-12-6-7-13(15-3)14(10-12)17-11(2)8-9-16/h11-16H,4-10H2,1-3H3.
What are the key properties of 3-[2-(methylamino)-5-propylcyclohexyl]sulfanylbutan-1-ol?
3-[2-(methylamino)-5-propylcyclohexyl]sulfanylbutan-1-ol has a molecular weight of 259.46 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)-5-propylcyclohexyl]sulfanylbutan-1-ol is sourced from PubChem (CID 66136229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).