N-(3-methoxypropyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-amine

C14H29NOS — CID 62722834

IUPACN-(3-methoxypropyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-amine
SMILESCOCCCNCC(C)SC1CCCC(C)C1
InChIInChI=1S/C14H29NOS/c1-12-6-4-7-14(10-12)17-13(2)11-15-8-5-9-16-3/h12-15H,4-11H2,1-3H3
InChIKeyOWMBPGYLXNTCNY-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.31
Rot. Bonds8

About N-(3-methoxypropyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-amine

N-(3-methoxypropyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-amine (PubChem CID 62722834) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-amine
PubChem CID62722834
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC NameN-(3-methoxypropyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-amine
SMILESCOCCCNCC(C)SC1CCCC(C)C1
InChIInChI=1S/C14H29NOS/c1-12-6-4-7-14(10-12)17-13(2)11-15-8-5-9-16-3/h12-15H,4-11H2,1-3H3
InChIKeyOWMBPGYLXNTCNY-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

2-cyclohexylsulfanyl-N-(3-ethoxypropyl)propan-1-amine
CID 62582253
2-methyl-N-[2-(3-methylcyclohexyl)sulfanylpropyl]butan-2-amine
CID 55196497
N-(2-methoxyethyl)-4-(3-methylcyclohexyl)sulfanylbutan-1-amine
CID 55111698
methyl 3-(3-methylcyclohexyl)sulfanylbutanoate
CID 62722596
N-(3-methoxypropyl)-2-methylsulfanylpropan-1-amine
CID 62581365
N-(2-cyclohexylsulfanylpropyl)pentan-1-amine
CID 62582254
1-(4-methoxybutylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60970955
4-(3-methylcyclohexyl)sulfanyl-N-propylpentan-2-amine
CID 64704078
N-(3-methoxypropyl)-2-(2-methylpropylsulfanyl)propan-1-amine
CID 62577772
4-(3-methylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine
CID 62455906
2-N-cyclohexyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62557645
4-(3-methylcyclohexyl)sulfanyl-N-propan-2-ylbutan-1-amine
CID 62723006

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-amine?
The IUPAC name of N-(3-methoxypropyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-amine (CID 62722834) is N-(3-methoxypropyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-amine.
What is the SMILES notation for N-(3-methoxypropyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-amine?
The canonical SMILES for N-(3-methoxypropyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-amine is COCCCNCC(C)SC1CCCC(C)C1.
What is the InChIKey of N-(3-methoxypropyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-amine?
The InChIKey is OWMBPGYLXNTCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-12-6-4-7-14(10-12)17-13(2)11-15-8-5-9-16-3/h12-15H,4-11H2,1-3H3.
What are the key properties of N-(3-methoxypropyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-amine?
N-(3-methoxypropyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-amine has a molecular weight of 259.46 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-amine is sourced from PubChem (CID 62722834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).