N-[2-(2-methoxyethylsulfanyl)ethyl]-4-methylpentan-1-amine

C11H25NOS — CID 62576986

IUPACN-[2-(2-methoxyethylsulfanyl)ethyl]-4-methylpentan-1-amine
SMILESCOCCSCCNCCCC(C)C
InChIInChI=1S/C11H25NOS/c1-11(2)5-4-6-12-7-9-14-10-8-13-3/h11-12H,4-10H2,1-3H3
InChIKeyCSYCJGBXGOGOKW-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.39
Rot. Bonds10

About N-[2-(2-methoxyethylsulfanyl)ethyl]-4-methylpentan-1-amine

N-[2-(2-methoxyethylsulfanyl)ethyl]-4-methylpentan-1-amine (PubChem CID 62576986) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is N-[2-(2-methoxyethylsulfanyl)ethyl]-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethylsulfanyl)ethyl]-4-methylpentan-1-amine
PubChem CID62576986
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC NameN-[2-(2-methoxyethylsulfanyl)ethyl]-4-methylpentan-1-amine
SMILESCOCCSCCNCCCC(C)C
InChIInChI=1S/C11H25NOS/c1-11(2)5-4-6-12-7-9-14-10-8-13-3/h11-12H,4-10H2,1-3H3
InChIKeyCSYCJGBXGOGOKW-UHFFFAOYSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.39
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

4-methyl-N-[2-(2-methylpropylsulfanyl)ethyl]pentan-1-amine
CID 62579266
N-(3-methoxypropyl)-5-methylhexan-1-amine
CID 115325588
N-(2-methoxyethyl)-5-methylhexan-1-amine
CID 62603286
N-[2-(3-methoxypropylsulfanyl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 63857445
3-ethoxy-N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine
CID 63856708
N-(2-methoxyethyl)-4-(4-methylpentoxy)butan-1-amine
CID 62597263
N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine
CID 103033199
1-methoxy-N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine
CID 62577802
3-[2-(3-methylbutylamino)ethylsulfanyl]propan-1-ol
CID 103578586
4-ethoxy-N-[2-(2-methylpropylsulfanyl)ethyl]butan-1-amine
CID 62576535
6-(2-methoxyethylsulfanyl)hexan-2-amine
CID 64615572
5-(4-methoxybutylamino)pentan-2-ol
CID 106131000

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylsulfanyl)ethyl]-4-methylpentan-1-amine?
The IUPAC name of N-[2-(2-methoxyethylsulfanyl)ethyl]-4-methylpentan-1-amine (CID 62576986) is N-[2-(2-methoxyethylsulfanyl)ethyl]-4-methylpentan-1-amine.
What is the SMILES notation for N-[2-(2-methoxyethylsulfanyl)ethyl]-4-methylpentan-1-amine?
The canonical SMILES for N-[2-(2-methoxyethylsulfanyl)ethyl]-4-methylpentan-1-amine is COCCSCCNCCCC(C)C.
What is the InChIKey of N-[2-(2-methoxyethylsulfanyl)ethyl]-4-methylpentan-1-amine?
The InChIKey is CSYCJGBXGOGOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-11(2)5-4-6-12-7-9-14-10-8-13-3/h11-12H,4-10H2,1-3H3.
What are the key properties of N-[2-(2-methoxyethylsulfanyl)ethyl]-4-methylpentan-1-amine?
N-[2-(2-methoxyethylsulfanyl)ethyl]-4-methylpentan-1-amine has a molecular weight of 219.39 g/mol, XLogP of 2.39, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylsulfanyl)ethyl]-4-methylpentan-1-amine is sourced from PubChem (CID 62576986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).