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

C11H24N2S — CID 63964992

IUPACN-[[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCSCCN1CCC(CNC(C)C)C1
InChIInChI=1S/C11H24N2S/c1-10(2)12-8-11-4-5-13(9-11)6-7-14-3/h10-12H,4-9H2,1-3H3
InChIKeyZGVHDEGBIMSFKT-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.67
Rot. Bonds6

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

N-[[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 63964992) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is N-[[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID63964992
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC NameN-[[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCSCCN1CCC(CNC(C)C)C1
InChIInChI=1S/C11H24N2S/c1-10(2)12-8-11-4-5-13(9-11)6-7-14-3/h10-12H,4-9H2,1-3H3
InChIKeyZGVHDEGBIMSFKT-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 79358464
N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]propan-1-amine
CID 62512571
N-methyl-N-[2-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]ethyl]cyclopropanamine
CID 62975746
N-[[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 102906427
N-[[1-(2-cyclohexyloxyethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63827714
N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-2-amine
CID 62581880
N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 82891574
N-[[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513685
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 63828603
N-[[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 63965430
N-[(1-decylpiperidin-3-yl)methyl]propan-2-amine
CID 63405022
N-[[1-[(1-cyclopropylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 114095644

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methyl]propan-2-amine (CID 63964992) is N-[[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methyl]propan-2-amine is CSCCN1CCC(CNC(C)C)C1.
What is the InChIKey of N-[[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is ZGVHDEGBIMSFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-10(2)12-8-11-4-5-13(9-11)6-7-14-3/h10-12H,4-9H2,1-3H3.
What are the key properties of N-[[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
N-[[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 216.39 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63964992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).