2-methyl-1-(2-pyrrolidin-1-ylethylsulfanyl)propan-2-amine

C10H22N2S — CID 66221233

IUPAC2-methyl-1-(2-pyrrolidin-1-ylethylsulfanyl)propan-2-amine
SMILESCC(C)(N)CSCCN1CCCC1
InChIInChI=1S/C10H22N2S/c1-10(2,11)9-13-8-7-12-5-3-4-6-12/h3-9,11H2,1-2H3
InChIKeyQGTZRBYEFNHKBY-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.55
Rot. Bonds5

About 2-methyl-1-(2-pyrrolidin-1-ylethylsulfanyl)propan-2-amine

2-methyl-1-(2-pyrrolidin-1-ylethylsulfanyl)propan-2-amine (PubChem CID 66221233) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 2-methyl-1-(2-pyrrolidin-1-ylethylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(2-pyrrolidin-1-ylethylsulfanyl)propan-2-amine
PubChem CID66221233
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name2-methyl-1-(2-pyrrolidin-1-ylethylsulfanyl)propan-2-amine
SMILESCC(C)(N)CSCCN1CCCC1
InChIInChI=1S/C10H22N2S/c1-10(2,11)9-13-8-7-12-5-3-4-6-12/h3-9,11H2,1-2H3
InChIKeyQGTZRBYEFNHKBY-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
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

2-methyl-1-(2-piperidin-1-ylethylsulfanyl)propan-2-amine
CID 66221864
1-(2-ethylsulfanylethyl)azepane
CID 177053539
4-(azocan-1-yl)-2-methylbutan-2-amine
CID 64678909
1-[2-(2-amino-2-methylpropyl)sulfanylethyl]pyrrolidine-2,5-dione
CID 66230891
1,4,8,11-tetrakis(2-ethylsulfanylethyl)-1,4,8,11-tetrazacyclotetradecane
CID 70181811
1-(2-prop-2-ynylsulfanylethyl)azepane
CID 134064544
2-(2-amino-2-methylpropyl)sulfanyl-1-(azetidin-1-yl)ethanone
CID 66221215
1-(3-tert-butylsulfanylpropyl)piperidine
CID 161387575
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806
3-tert-butyl-1-(2-prop-2-ynylsulfanylethyl)-1,4-diazepane
CID 114188274
1-heptylsulfanyl-2-methylpropan-2-amine
CID 66228782
1-(3,3-dimethylbutyl)azocane
CID 166986973

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-pyrrolidin-1-ylethylsulfanyl)propan-2-amine?
The IUPAC name of 2-methyl-1-(2-pyrrolidin-1-ylethylsulfanyl)propan-2-amine (CID 66221233) is 2-methyl-1-(2-pyrrolidin-1-ylethylsulfanyl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(2-pyrrolidin-1-ylethylsulfanyl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(2-pyrrolidin-1-ylethylsulfanyl)propan-2-amine is CC(C)(N)CSCCN1CCCC1.
What is the InChIKey of 2-methyl-1-(2-pyrrolidin-1-ylethylsulfanyl)propan-2-amine?
The InChIKey is QGTZRBYEFNHKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-10(2,11)9-13-8-7-12-5-3-4-6-12/h3-9,11H2,1-2H3.
What are the key properties of 2-methyl-1-(2-pyrrolidin-1-ylethylsulfanyl)propan-2-amine?
2-methyl-1-(2-pyrrolidin-1-ylethylsulfanyl)propan-2-amine has a molecular weight of 202.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-pyrrolidin-1-ylethylsulfanyl)propan-2-amine is sourced from PubChem (CID 66221233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).