2-(2-methoxyethylsulfanyl)-4,4-dimethyl-N-propylcyclohexan-1-amine

C14H29NOS — CID 64609722

IUPAC2-(2-methoxyethylsulfanyl)-4,4-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)(C)CC1SCCOC
InChIInChI=1S/C14H29NOS/c1-5-8-15-12-6-7-14(2,3)11-13(12)17-10-9-16-4/h12-13,15H,5-11H2,1-4H3
InChIKeyNVMBLPIMULRYLI-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.31
Rot. Bonds7

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

2-(2-methoxyethylsulfanyl)-4,4-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 64609722) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-4,4-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)-4,4-dimethyl-N-propylcyclohexan-1-amine
PubChem CID64609722
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name2-(2-methoxyethylsulfanyl)-4,4-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)(C)CC1SCCOC
InChIInChI=1S/C14H29NOS/c1-5-8-15-12-6-7-14(2,3)11-13(12)17-10-9-16-4/h12-13,15H,5-11H2,1-4H3
InChIKeyNVMBLPIMULRYLI-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyethylsulfanyl)ethyl]-3-methylcyclohexan-1-amine
CID 62576787
N-[2-(2-methoxyethylsulfanyl)ethyl]-4-methylcyclohexan-1-amine
CID 62577387
N-[2-(2-methoxyethylsulfanyl)ethyl]-2-methylcyclohexan-1-amine
CID 62577592
N-[2-(3-methoxypropylsulfanyl)ethyl]-4-methylcyclohexan-1-amine
CID 63855429
N-(cyclohexylmethyl)-2-(3-methoxypropylsulfanyl)ethanamine
CID 63856528
N-[2-(3-methoxypropylsulfanyl)ethyl]-3-methylcyclohexan-1-amine
CID 63857259
N-[2-(3-methoxypropylsulfanyl)ethyl]-2-methylcyclohexan-1-amine
CID 63857628
N-ethyl-4,4-dimethyl-2-(2-methylpropylsulfanyl)cyclohexan-1-amine
CID 64609666
4-tert-butyl-2-(2-methoxyethylsulfanyl)-N-methylcyclohexan-1-amine
CID 64609929
2-(2-methoxyethylsulfanyl)-N-methyl-4-propylcyclohexan-1-amine
CID 64609932
2-butylsulfanyl-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 64610271
N-ethyl-2-(2-methoxyethylsulfanyl)-4,4-dimethylcyclohexan-1-amine
CID 64610343

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfanyl)-4,4-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(2-methoxyethylsulfanyl)-4,4-dimethyl-N-propylcyclohexan-1-amine (CID 64609722) is 2-(2-methoxyethylsulfanyl)-4,4-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-4,4-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)-4,4-dimethyl-N-propylcyclohexan-1-amine is CCCNC1CCC(C)(C)CC1SCCOC.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)-4,4-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is NVMBLPIMULRYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-5-8-15-12-6-7-14(2,3)11-13(12)17-10-9-16-4/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 2-(2-methoxyethylsulfanyl)-4,4-dimethyl-N-propylcyclohexan-1-amine?
2-(2-methoxyethylsulfanyl)-4,4-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 259.46 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)-4,4-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64609722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).