N-(2-methoxyethyl)-4-(2-methylbutylsulfanyl)butan-1-amine

C12H27NOS — CID 107757462

IUPACN-(2-methoxyethyl)-4-(2-methylbutylsulfanyl)butan-1-amine
SMILESCCC(C)CSCCCCNCCOC
InChIInChI=1S/C12H27NOS/c1-4-12(2)11-15-10-6-5-7-13-8-9-14-3/h12-13H,4-11H2,1-3H3
InChIKeyVYGDRIULVISDPH-UHFFFAOYSA-N
MW233.42 g/mol
LogP2.78
Rot. Bonds11

About N-(2-methoxyethyl)-4-(2-methylbutylsulfanyl)butan-1-amine

N-(2-methoxyethyl)-4-(2-methylbutylsulfanyl)butan-1-amine (PubChem CID 107757462) has the molecular formula C12H27NOS and a molecular weight of 233.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(2-methylbutylsulfanyl)butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(2-methylbutylsulfanyl)butan-1-amine
PubChem CID107757462
Molecular FormulaC12H27NOS
Molecular Weight233.42 g/mol
Exact Mass233.18
IUPAC NameN-(2-methoxyethyl)-4-(2-methylbutylsulfanyl)butan-1-amine
SMILESCCC(C)CSCCCCNCCOC
InChIInChI=1S/C12H27NOS/c1-4-12(2)11-15-10-6-5-7-13-8-9-14-3/h12-13H,4-11H2,1-3H3
InChIKeyVYGDRIULVISDPH-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.42
LogP ≤ 52.78
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-butoxy-N-[2-(2-methylbutylsulfanyl)ethyl]ethanamine
CID 107757478
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
4-(3-methoxypropylsulfanyl)-N-propylbutan-1-amine
CID 63857799
N,N-diethyl-2-[3-(2-methoxyethylamino)propylsulfanyl]acetamide
CID 114235060
4-(2-methylbutylsulfanyl)butane-1-thiol
CID 107766515
N-(2-methoxyethyl)-5-methylhexan-1-amine
CID 62603286
2-[3-(2-methoxyethylamino)propylsulfanyl]ethanol
CID 64612517
6-(2-methylbutylsulfanyl)-N-propylhexan-2-amine
CID 107763800
ethane;N-(2-methoxyethyl)hexan-1-amine
CID 177359501
N-(2-methoxyethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62570429
N,N'-bis(2-methoxyethyl)-N'-pentan-3-ylbutane-1,4-diamine
CID 55087436
N-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N'-methylbutane-1,4-diamine
CID 62568763

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(2-methylbutylsulfanyl)butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-(2-methylbutylsulfanyl)butan-1-amine (CID 107757462) is N-(2-methoxyethyl)-4-(2-methylbutylsulfanyl)butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-(2-methylbutylsulfanyl)butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-(2-methylbutylsulfanyl)butan-1-amine is CCC(C)CSCCCCNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-4-(2-methylbutylsulfanyl)butan-1-amine?
The InChIKey is VYGDRIULVISDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NOS/c1-4-12(2)11-15-10-6-5-7-13-8-9-14-3/h12-13H,4-11H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-4-(2-methylbutylsulfanyl)butan-1-amine?
N-(2-methoxyethyl)-4-(2-methylbutylsulfanyl)butan-1-amine has a molecular weight of 233.42 g/mol, XLogP of 2.78, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(2-methylbutylsulfanyl)butan-1-amine is sourced from PubChem (CID 107757462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).