N-methyl-1-[1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanamine

C11H24N2S — CID 63966540

IUPACN-methyl-1-[1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(CC(C)CSC)C1
InChIInChI=1S/C11H24N2S/c1-10(9-14-3)7-13-5-4-11(8-13)6-12-2/h10-12H,4-9H2,1-3H3
InChIKeyMSFHJNJAQGVYAK-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.53
Rot. Bonds6

About N-methyl-1-[1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanamine

N-methyl-1-[1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanamine (PubChem CID 63966540) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is N-methyl-1-[1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanamine
PubChem CID63966540
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC NameN-methyl-1-[1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(CC(C)CSC)C1
InChIInChI=1S/C11H24N2S/c1-10(9-14-3)7-13-5-4-11(8-13)6-12-2/h10-12H,4-9H2,1-3H3
InChIKeyMSFHJNJAQGVYAK-UHFFFAOYSA-N
XLogP1.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methanamine
CID 102906426
1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511549
1-methoxy-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 63929272
1-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511607
N-methyl-1-[1-(2-propan-2-yloxyethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922056
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 55168100
1-[1-[(4-ethylcyclohexyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62513783
N-[[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63964992
1-butoxy-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 107264166
N-[[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 102906427
N-methyl-1-[1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 103815455
2-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513718

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanamine (CID 63966540) is N-methyl-1-[1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanamine is CNCC1CCN(CC(C)CSC)C1.
What is the InChIKey of N-methyl-1-[1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanamine?
The InChIKey is MSFHJNJAQGVYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-10(9-14-3)7-13-5-4-11(8-13)6-12-2/h10-12H,4-9H2,1-3H3.
What are the key properties of N-methyl-1-[1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanamine?
N-methyl-1-[1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanamine has a molecular weight of 216.39 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 63966540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).