N-tert-butyl-4-(2-methoxyethylsulfanyl)butan-1-amine

C11H25NOS — CID 62579056

IUPACN-tert-butyl-4-(2-methoxyethylsulfanyl)butan-1-amine
SMILESCOCCSCCCCNC(C)(C)C
InChIInChI=1S/C11H25NOS/c1-11(2,3)12-7-5-6-9-14-10-8-13-4/h12H,5-10H2,1-4H3
InChIKeyCGWHEGPQTWBOPR-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.53
Rot. Bonds8

About N-tert-butyl-4-(2-methoxyethylsulfanyl)butan-1-amine

N-tert-butyl-4-(2-methoxyethylsulfanyl)butan-1-amine (PubChem CID 62579056) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is N-tert-butyl-4-(2-methoxyethylsulfanyl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(2-methoxyethylsulfanyl)butan-1-amine
PubChem CID62579056
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC NameN-tert-butyl-4-(2-methoxyethylsulfanyl)butan-1-amine
SMILESCOCCSCCCCNC(C)(C)C
InChIInChI=1S/C11H25NOS/c1-11(2,3)12-7-5-6-9-14-10-8-13-4/h12H,5-10H2,1-4H3
InChIKeyCGWHEGPQTWBOPR-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 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 ≤ 52.53
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

N-tert-butyl-4-propylsulfanylbutan-1-amine
CID 3026563
N-tert-butyl-4-(4-methoxybutoxy)butan-1-amine
CID 138672241
N-tert-butyl-4-(3-methylbutylsulfanyl)butan-1-amine
CID 107757723
N-tert-butyl-4-[3-(2-methoxyethoxy)propoxy]butan-1-amine
CID 103406524
N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-2-amine
CID 62455424
N-[3-[3-(2-methoxyethoxy)propoxy]propyl]-2-methylpropan-2-amine
CID 103401793
N-(2-butylsulfanylethyl)-2-methylpropan-2-amine
CID 61386344
4-(3-methoxypropylsulfanyl)-N-propylbutan-1-amine
CID 63857799
N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54806858
6-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64806971
6-(2-methoxyethylsulfanyl)hexan-2-amine
CID 64615572
5-(2-methoxyethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64820822

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2-methoxyethylsulfanyl)butan-1-amine?
The IUPAC name of N-tert-butyl-4-(2-methoxyethylsulfanyl)butan-1-amine (CID 62579056) is N-tert-butyl-4-(2-methoxyethylsulfanyl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(2-methoxyethylsulfanyl)butan-1-amine?
The canonical SMILES for N-tert-butyl-4-(2-methoxyethylsulfanyl)butan-1-amine is COCCSCCCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-(2-methoxyethylsulfanyl)butan-1-amine?
The InChIKey is CGWHEGPQTWBOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-11(2,3)12-7-5-6-9-14-10-8-13-4/h12H,5-10H2,1-4H3.
What are the key properties of N-tert-butyl-4-(2-methoxyethylsulfanyl)butan-1-amine?
N-tert-butyl-4-(2-methoxyethylsulfanyl)butan-1-amine has a molecular weight of 219.39 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2-methoxyethylsulfanyl)butan-1-amine is sourced from PubChem (CID 62579056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).