2-ethoxy-4-(3-methylbutan-2-ylsulfanyl)butan-1-amine

C11H25NOS — CID 107752236

IUPAC2-ethoxy-4-(3-methylbutan-2-ylsulfanyl)butan-1-amine
SMILESCCOC(CN)CCSC(C)C(C)C
InChIInChI=1S/C11H25NOS/c1-5-13-11(8-12)6-7-14-10(4)9(2)3/h9-11H,5-8,12H2,1-4H3
InChIKeyDQLYDCMSWFHQKR-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.52
Rot. Bonds8

About 2-ethoxy-4-(3-methylbutan-2-ylsulfanyl)butan-1-amine

2-ethoxy-4-(3-methylbutan-2-ylsulfanyl)butan-1-amine (PubChem CID 107752236) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 2-ethoxy-4-(3-methylbutan-2-ylsulfanyl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-4-(3-methylbutan-2-ylsulfanyl)butan-1-amine
PubChem CID107752236
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name2-ethoxy-4-(3-methylbutan-2-ylsulfanyl)butan-1-amine
SMILESCCOC(CN)CCSC(C)C(C)C
InChIInChI=1S/C11H25NOS/c1-5-13-11(8-12)6-7-14-10(4)9(2)3/h9-11H,5-8,12H2,1-4H3
InChIKeyDQLYDCMSWFHQKR-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Analyze 2-ethoxy-4-(3-methylbutan-2-ylsulfanyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-4-(2-methylbutylsulfanyl)butan-1-amine
CID 107752284
2-ethoxy-4-(3-methylbutan-2-ylsulfonyl)butan-1-amine
CID 107766945
(2R)-2-ethoxy-N',N'-dimethylbutane-1,4-diamine
CID 95006031
2-ethoxy-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
CID 63069851
2-ethoxy-3-methylbutan-1-amine
CID 62445436
ethane;2-ethoxybutan-1-amine
CID 176948064
2-ethoxybutan-1-amine;hydrochloride
CID 53398977
2-ethoxy-3-propan-2-yloxypropan-1-amine
CID 63069873
N'-butan-2-yl-N'-butyl-2-ethoxybutane-1,4-diamine
CID 63070467
2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine
CID 63069699
2-ethoxy-3-(4-methylpentoxy)propan-1-amine
CID 63070823
2-ethoxy-4-pyrazin-2-ylsulfanylbutan-1-amine
CID 63380958

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(3-methylbutan-2-ylsulfanyl)butan-1-amine?
The IUPAC name of 2-ethoxy-4-(3-methylbutan-2-ylsulfanyl)butan-1-amine (CID 107752236) is 2-ethoxy-4-(3-methylbutan-2-ylsulfanyl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-4-(3-methylbutan-2-ylsulfanyl)butan-1-amine?
The canonical SMILES for 2-ethoxy-4-(3-methylbutan-2-ylsulfanyl)butan-1-amine is CCOC(CN)CCSC(C)C(C)C.
What is the InChIKey of 2-ethoxy-4-(3-methylbutan-2-ylsulfanyl)butan-1-amine?
The InChIKey is DQLYDCMSWFHQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-5-13-11(8-12)6-7-14-10(4)9(2)3/h9-11H,5-8,12H2,1-4H3.
What are the key properties of 2-ethoxy-4-(3-methylbutan-2-ylsulfanyl)butan-1-amine?
2-ethoxy-4-(3-methylbutan-2-ylsulfanyl)butan-1-amine has a molecular weight of 219.39 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(3-methylbutan-2-ylsulfanyl)butan-1-amine is sourced from PubChem (CID 107752236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).