2-ethoxy-4-(2-methylbutylsulfanyl)butan-1-amine

C11H25NOS — CID 107752284

IUPAC2-ethoxy-4-(2-methylbutylsulfanyl)butan-1-amine
SMILESCCOC(CN)CCSCC(C)CC
InChIInChI=1S/C11H25NOS/c1-4-10(3)9-14-7-6-11(8-12)13-5-2/h10-11H,4-9,12H2,1-3H3
InChIKeyQVETVORLVCWFCA-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.52
Rot. Bonds9

About 2-ethoxy-4-(2-methylbutylsulfanyl)butan-1-amine

2-ethoxy-4-(2-methylbutylsulfanyl)butan-1-amine (PubChem CID 107752284) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 2-ethoxy-4-(2-methylbutylsulfanyl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-4-(2-methylbutylsulfanyl)butan-1-amine
PubChem CID107752284
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name2-ethoxy-4-(2-methylbutylsulfanyl)butan-1-amine
SMILESCCOC(CN)CCSCC(C)CC
InChIInChI=1S/C11H25NOS/c1-4-10(3)9-14-7-6-11(8-12)13-5-2/h10-11H,4-9,12H2,1-3H3
InChIKeyQVETVORLVCWFCA-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.52
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-ethoxy-4-(3-methylbutan-2-ylsulfanyl)butan-1-amine
CID 107752236
ethane;2-ethoxybutan-1-amine
CID 176948064
2-ethoxybutan-1-amine;hydrochloride
CID 53398977
1-chloro-3-methyl-5-(2-methylbutylsulfanyl)pentane
CID 107746913
(2R)-2-ethoxy-N',N'-dimethylbutane-1,4-diamine
CID 95006031
4-(2-methylpentylsulfanyl)butan-2-amine
CID 66232136
2-ethoxy-3-propan-2-yloxypropan-1-amine
CID 63069873
N'-butan-2-yl-N'-butyl-2-ethoxybutane-1,4-diamine
CID 63070467
2-(methylamino)-4-(2-methylbutylsulfanyl)butan-1-ol
CID 107764835
1-(2-methylbutylsulfanyl)propan-2-amine
CID 66217492
2-ethoxy-4-(2-methylfuran-3-yl)sulfanylbutan-1-amine
CID 107781098
2-ethoxy-4-pyrazin-2-ylsulfanylbutan-1-amine
CID 63380958

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(2-methylbutylsulfanyl)butan-1-amine?
The IUPAC name of 2-ethoxy-4-(2-methylbutylsulfanyl)butan-1-amine (CID 107752284) is 2-ethoxy-4-(2-methylbutylsulfanyl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-4-(2-methylbutylsulfanyl)butan-1-amine?
The canonical SMILES for 2-ethoxy-4-(2-methylbutylsulfanyl)butan-1-amine is CCOC(CN)CCSCC(C)CC.
What is the InChIKey of 2-ethoxy-4-(2-methylbutylsulfanyl)butan-1-amine?
The InChIKey is QVETVORLVCWFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-4-10(3)9-14-7-6-11(8-12)13-5-2/h10-11H,4-9,12H2,1-3H3.
What are the key properties of 2-ethoxy-4-(2-methylbutylsulfanyl)butan-1-amine?
2-ethoxy-4-(2-methylbutylsulfanyl)butan-1-amine has a molecular weight of 219.39 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(2-methylbutylsulfanyl)butan-1-amine is sourced from PubChem (CID 107752284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).