1-(3-ethylsulfanylpropyl)-4-methylpyrrolidin-3-amine

C10H22N2S — CID 103575497

IUPAC1-(3-ethylsulfanylpropyl)-4-methylpyrrolidin-3-amine
SMILESCCSCCCN1CC(C)C(N)C1
InChIInChI=1S/C10H22N2S/c1-3-13-6-4-5-12-7-9(2)10(11)8-12/h9-10H,3-8,11H2,1-2H3
InChIKeyDEXMMNBSYJKBDN-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.41
Rot. Bonds5

About 1-(3-ethylsulfanylpropyl)-4-methylpyrrolidin-3-amine

1-(3-ethylsulfanylpropyl)-4-methylpyrrolidin-3-amine (PubChem CID 103575497) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 1-(3-ethylsulfanylpropyl)-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-ethylsulfanylpropyl)-4-methylpyrrolidin-3-amine
PubChem CID103575497
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name1-(3-ethylsulfanylpropyl)-4-methylpyrrolidin-3-amine
SMILESCCSCCCN1CC(C)C(N)C1
InChIInChI=1S/C10H22N2S/c1-3-13-6-4-5-12-7-9(2)10(11)8-12/h9-10H,3-8,11H2,1-2H3
InChIKeyDEXMMNBSYJKBDN-UHFFFAOYSA-N
XLogP1.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.41
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

1-(3-ethylsulfanylpropyl)piperidin-4-amine
CID 115741254
4-(3-amino-4-methylpyrrolidin-1-yl)butanenitrile
CID 103577008
[1-(3-ethylsulfanylpropyl)piperidin-4-yl]methanamine
CID 115741267
1-[1-(3-ethylsulfanylpropyl)pyrrolidin-3-yl]piperidin-4-amine
CID 113473944
4-(3-amino-4-methylpyrrolidin-1-yl)-N-methylbutanamide
CID 103576832
4-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-amine
CID 106728081
3-ethyl-1-(3-ethylsulfanylpropyl)piperidin-4-ol
CID 114511149
1-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]ethanamine
CID 115741368
4-methyl-1-(3-phenoxypropyl)pyrrolidin-3-amine
CID 103577059
[4-(3-ethylsulfanylpropyl)morpholin-2-yl]methanamine
CID 114395168
1-(3-ethoxypropyl)-4-methylpiperidin-3-amine
CID 65180830
1-(2-cyclohexylethyl)-4-methylpyrrolidin-3-amine
CID 103575423

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfanylpropyl)-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-(3-ethylsulfanylpropyl)-4-methylpyrrolidin-3-amine (CID 103575497) is 1-(3-ethylsulfanylpropyl)-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(3-ethylsulfanylpropyl)-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(3-ethylsulfanylpropyl)-4-methylpyrrolidin-3-amine is CCSCCCN1CC(C)C(N)C1.
What is the InChIKey of 1-(3-ethylsulfanylpropyl)-4-methylpyrrolidin-3-amine?
The InChIKey is DEXMMNBSYJKBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-3-13-6-4-5-12-7-9(2)10(11)8-12/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 1-(3-ethylsulfanylpropyl)-4-methylpyrrolidin-3-amine?
1-(3-ethylsulfanylpropyl)-4-methylpyrrolidin-3-amine has a molecular weight of 202.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfanylpropyl)-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103575497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).