1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine

C14H22N2S — CID 60694335

IUPAC1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine
SMILESCSCCNC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C14H22N2S/c1-17-10-8-15-14-7-9-16(12-14)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3
InChIKeyGQQYIFUZLKMRMT-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.21
Rot. Bonds6

About 1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine

1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine (PubChem CID 60694335) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine
PubChem CID60694335
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine
SMILESCSCCNC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C14H22N2S/c1-17-10-8-15-14-7-9-16(12-14)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3
InChIKeyGQQYIFUZLKMRMT-UHFFFAOYSA-N
XLogP2.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.21
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-benzyl-N-(2-prop-2-enylsulfanylethyl)pyrrolidin-3-amine
CID 103709840
N-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 43089230
N'-[(3S)-1-benzylpyrrolidin-3-yl]propane-1,3-diamine
CID 54251680
1-benzyl-N-pent-3-ynylpyrrolidin-3-amine
CID 116642852
1-benzyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 55025121
1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine
CID 115690185
2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-N,N-dimethylethanesulfonamide
CID 95197428
3-[2-[(1-benzylpyrrolidin-3-yl)amino]ethyl]-1,1-dimethylurea
CID 83108275
1-benzyl-N-(2-cyclopropylpropyl)pyrrolidin-3-amine
CID 115662847
1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine
CID 43298230
1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
CID 80695683
1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine
CID 113222195

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine (CID 60694335) is 1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine is CSCCNC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine?
The InChIKey is GQQYIFUZLKMRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-17-10-8-15-14-7-9-16(12-14)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3.
What are the key properties of 1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine?
1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine has a molecular weight of 250.41 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 60694335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).