N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]-1-methylsulfanylbutan-2-amine

C12H26N2S — CID 112660970

IUPACN-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)N(C)CC1CCNC1C
InChIInChI=1S/C12H26N2S/c1-5-12(9-15-4)14(3)8-11-6-7-13-10(11)2/h10-13H,5-9H2,1-4H3
InChIKeyALHZTLBHLSMNTN-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.06
Rot. Bonds6

About N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]-1-methylsulfanylbutan-2-amine

N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]-1-methylsulfanylbutan-2-amine (PubChem CID 112660970) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]-1-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]-1-methylsulfanylbutan-2-amine
PubChem CID112660970
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC NameN-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)N(C)CC1CCNC1C
InChIInChI=1S/C12H26N2S/c1-5-12(9-15-4)14(3)8-11-6-7-13-10(11)2/h10-13H,5-9H2,1-4H3
InChIKeyALHZTLBHLSMNTN-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,4R)-1-tert-butyl-4-fluoro-2-[(1S)-1-methylsulfanylethyl]pyrrolidin-3-yl]methanamine
CID 169667082
1-[1-[2-(Trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 116616994
N-methyl-1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanamine
CID 20655873
N,N-dimethyl-1-(4-methylsulfanylpyrrolidin-2-yl)methanamine
CID 20655878
4-(ethylsulfanylmethyl)-N,N-dimethylpyrrolidin-3-amine
CID 53776738
N,N-dimethyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine
CID 53910332
N-ethyl-4-(ethylsulfanylmethyl)pyrrolidin-3-amine
CID 53930399
4-(ethylsulfanylmethyl)-N-methylpyrrolidin-3-amine
CID 53964468
2-[[(2R)-1-methylpyrrolidin-2-yl]methylsulfanyl]ethanamine
CID 53979036
N-ethyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine
CID 54236574
N-methyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine
CID 54463614
N'-[1-(thiolan-3-yl)ethyl]ethane-1,2-diamine
CID 70458048

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]-1-methylsulfanylbutan-2-amine?
The IUPAC name of N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]-1-methylsulfanylbutan-2-amine (CID 112660970) is N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]-1-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]-1-methylsulfanylbutan-2-amine?
The canonical SMILES for N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]-1-methylsulfanylbutan-2-amine is CCC(CSC)N(C)CC1CCNC1C.
What is the InChIKey of N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]-1-methylsulfanylbutan-2-amine?
The InChIKey is ALHZTLBHLSMNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-5-12(9-15-4)14(3)8-11-6-7-13-10(11)2/h10-13H,5-9H2,1-4H3.
What are the key properties of N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]-1-methylsulfanylbutan-2-amine?
N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]-1-methylsulfanylbutan-2-amine has a molecular weight of 230.42 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]-1-methylsulfanylbutan-2-amine is sourced from PubChem (CID 112660970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).