2-methyl-N-[[1-(5-methylsulfanylpentyl)pyrrolidin-3-yl]methyl]propan-2-amine

C15H32N2S — CID 114127667

IUPAC2-methyl-N-[[1-(5-methylsulfanylpentyl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCSCCCCCN1CCC(CNC(C)(C)C)C1
InChIInChI=1S/C15H32N2S/c1-15(2,3)16-12-14-8-10-17(13-14)9-6-5-7-11-18-4/h14,16H,5-13H2,1-4H3
InChIKeyXKBRIBDZTKRREK-UHFFFAOYSA-N
MW272.50 g/mol
LogP3.23
Rot. Bonds8

About 2-methyl-N-[[1-(5-methylsulfanylpentyl)pyrrolidin-3-yl]methyl]propan-2-amine

2-methyl-N-[[1-(5-methylsulfanylpentyl)pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 114127667) has the molecular formula C15H32N2S and a molecular weight of 272.50 g/mol. Its IUPAC name is 2-methyl-N-[[1-(5-methylsulfanylpentyl)pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(5-methylsulfanylpentyl)pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID114127667
Molecular FormulaC15H32N2S
Molecular Weight272.50 g/mol
Exact Mass272.23
IUPAC Name2-methyl-N-[[1-(5-methylsulfanylpentyl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCSCCCCCN1CCC(CNC(C)(C)C)C1
InChIInChI=1S/C15H32N2S/c1-15(2,3)16-12-14-8-10-17(13-14)9-6-5-7-11-18-4/h14,16H,5-13H2,1-4H3
InChIKeyXKBRIBDZTKRREK-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 53.23
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-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine
CID 62512541
N-[[1-[3-(dimethylamino)propyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512405
N-[(1-hexylpiperidin-3-yl)methyl]-2-methylpropan-2-amine
CID 62593600
N-[[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 63965430
2-methyl-N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62511581
N-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512373
2-methyl-N-[(1-pentylpiperidin-4-yl)methyl]propan-2-amine
CID 62592225
4-[4-[(tert-butylamino)methyl]piperidin-1-yl]butan-1-ol
CID 63848432
N-[[1-[2-[ethyl(methyl)amino]ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62641948
2-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513718
N-[[1-[3-(dimethylamino)propyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 114525593
3-(2-chloroethyl)-1-(3-methylsulfanylpropyl)pyrrolidine
CID 114800524

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(5-methylsulfanylpentyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(5-methylsulfanylpentyl)pyrrolidin-3-yl]methyl]propan-2-amine (CID 114127667) is 2-methyl-N-[[1-(5-methylsulfanylpentyl)pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(5-methylsulfanylpentyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(5-methylsulfanylpentyl)pyrrolidin-3-yl]methyl]propan-2-amine is CSCCCCCN1CCC(CNC(C)(C)C)C1.
What is the InChIKey of 2-methyl-N-[[1-(5-methylsulfanylpentyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is XKBRIBDZTKRREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2S/c1-15(2,3)16-12-14-8-10-17(13-14)9-6-5-7-11-18-4/h14,16H,5-13H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-(5-methylsulfanylpentyl)pyrrolidin-3-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(5-methylsulfanylpentyl)pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 272.50 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(5-methylsulfanylpentyl)pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 114127667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).