4,4-dimethyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine

C16H31NOS — CID 106496824

IUPAC4,4-dimethyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)(C)CC1SCC1CCCO1
InChIInChI=1S/C16H31NOS/c1-4-9-17-14-7-8-16(2,3)11-15(14)19-12-13-6-5-10-18-13/h13-15,17H,4-12H2,1-3H3
InChIKeyQYBWNBRSBFUWMD-UHFFFAOYSA-N
MW285.50 g/mol
LogP3.85
Rot. Bonds6

About 4,4-dimethyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine

4,4-dimethyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine (PubChem CID 106496824) has the molecular formula C16H31NOS and a molecular weight of 285.50 g/mol. Its IUPAC name is 4,4-dimethyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine
PubChem CID106496824
Molecular FormulaC16H31NOS
Molecular Weight285.50 g/mol
Exact Mass285.21
IUPAC Name4,4-dimethyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)(C)CC1SCC1CCCO1
InChIInChI=1S/C16H31NOS/c1-4-9-17-14-7-8-16(2,3)11-15(14)19-12-13-6-5-10-18-13/h13-15,17H,4-12H2,1-3H3
InChIKeyQYBWNBRSBFUWMD-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine
CID 106496874
2-(2-methoxyethylsulfanyl)-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 64609722
4,4-dimethyl-2-(2-methylsulfonylethylsulfanyl)-N-propylcyclohexan-1-amine
CID 64611268
N-ethyl-2-(oxolan-2-ylmethylsulfanyl)cyclooctan-1-amine
CID 106496986
N-ethyl-3-(oxolan-2-ylmethylsulfanyl)oxan-4-amine
CID 106496921
N-[[4,4-dimethyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 81030494
2,4,4-trimethyl-N-propylcyclohexan-1-amine
CID 81308091
2-(2-bromophenyl)sulfanyl-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 64614754
2-[2-(oxolan-2-yl)ethyl]-N-propylcyclopentan-1-amine
CID 65163066
4,4-dimethyl-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64627899
3,3-dimethyl-N-[2-(oxan-2-yl)ethyl]cyclopentan-1-amine
CID 104537106
3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine?
The IUPAC name of 4,4-dimethyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine (CID 106496824) is 4,4-dimethyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 4,4-dimethyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine is CCCNC1CCC(C)(C)CC1SCC1CCCO1.
What is the InChIKey of 4,4-dimethyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine?
The InChIKey is QYBWNBRSBFUWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NOS/c1-4-9-17-14-7-8-16(2,3)11-15(14)19-12-13-6-5-10-18-13/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine?
4,4-dimethyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine has a molecular weight of 285.50 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 106496824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).