N-(2-methoxyethyl)-4-(3-methylcyclohexyl)sulfanylbutan-1-amine

C14H29NOS — CID 55111698

IUPACN-(2-methoxyethyl)-4-(3-methylcyclohexyl)sulfanylbutan-1-amine
SMILESCOCCNCCCCSC1CCCC(C)C1
InChIInChI=1S/C14H29NOS/c1-13-6-5-7-14(12-13)17-11-4-3-8-15-9-10-16-2/h13-15H,3-12H2,1-2H3
InChIKeyTZDSLQQMTUDHGW-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.31
Rot. Bonds9

About N-(2-methoxyethyl)-4-(3-methylcyclohexyl)sulfanylbutan-1-amine

N-(2-methoxyethyl)-4-(3-methylcyclohexyl)sulfanylbutan-1-amine (PubChem CID 55111698) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(3-methylcyclohexyl)sulfanylbutan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(3-methylcyclohexyl)sulfanylbutan-1-amine
PubChem CID55111698
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC NameN-(2-methoxyethyl)-4-(3-methylcyclohexyl)sulfanylbutan-1-amine
SMILESCOCCNCCCCSC1CCCC(C)C1
InChIInChI=1S/C14H29NOS/c1-13-6-5-7-14(12-13)17-11-4-3-8-15-9-10-16-2/h13-15H,3-12H2,1-2H3
InChIKeyTZDSLQQMTUDHGW-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

4-(3-methylcyclohexyl)sulfanyl-N-propan-2-ylbutan-1-amine
CID 62723006
N-(2-methoxyethyl)-4-(3-methylcyclohexyl)oxybutan-1-amine
CID 62597111
N-methyl-3-(3-methylcyclohexyl)sulfanylpropan-1-amine
CID 62720477
5-(3-methylcyclohexyl)sulfanylpentan-1-amine
CID 62721729
N-(3-methoxypropyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-amine
CID 62722834
N-[2-(3-methylcyclohexyl)sulfanylethyl]prop-2-en-1-amine
CID 62720497
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexanoic acid
CID 63466029
N-[2-(3-methoxypropoxy)ethyl]-2-(3-methylcyclohexyl)ethanamine
CID 103179043
2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexan-1-ol
CID 64807359
2-(ethylamino)-2-methyl-6-(3-methylcyclohexyl)sulfanylhexanoic acid
CID 62720486
N',N'-dicyclohexyl-N-(2-methoxyethyl)propane-1,3-diamine
CID 63027895

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(3-methylcyclohexyl)sulfanylbutan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-(3-methylcyclohexyl)sulfanylbutan-1-amine (CID 55111698) is N-(2-methoxyethyl)-4-(3-methylcyclohexyl)sulfanylbutan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-(3-methylcyclohexyl)sulfanylbutan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-(3-methylcyclohexyl)sulfanylbutan-1-amine is COCCNCCCCSC1CCCC(C)C1.
What is the InChIKey of N-(2-methoxyethyl)-4-(3-methylcyclohexyl)sulfanylbutan-1-amine?
The InChIKey is TZDSLQQMTUDHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-13-6-5-7-14(12-13)17-11-4-3-8-15-9-10-16-2/h13-15H,3-12H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-4-(3-methylcyclohexyl)sulfanylbutan-1-amine?
N-(2-methoxyethyl)-4-(3-methylcyclohexyl)sulfanylbutan-1-amine has a molecular weight of 259.46 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(3-methylcyclohexyl)sulfanylbutan-1-amine is sourced from PubChem (CID 55111698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).