N-[(1-methylsulfanylcyclobutyl)methyl]-1-propan-2-ylpyrrolidin-3-amine

C13H26N2S — CID 107266934

IUPACN-[(1-methylsulfanylcyclobutyl)methyl]-1-propan-2-ylpyrrolidin-3-amine
SMILESCSC1(CNC2CCN(C(C)C)C2)CCC1
InChIInChI=1S/C13H26N2S/c1-11(2)15-8-5-12(9-15)14-10-13(16-3)6-4-7-13/h11-12,14H,4-10H2,1-3H3
InChIKeyDSGCIZCKLAJDTF-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.34
Rot. Bonds5

About N-[(1-methylsulfanylcyclobutyl)methyl]-1-propan-2-ylpyrrolidin-3-amine

N-[(1-methylsulfanylcyclobutyl)methyl]-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 107266934) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclobutyl)methyl]-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclobutyl)methyl]-1-propan-2-ylpyrrolidin-3-amine
PubChem CID107266934
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC NameN-[(1-methylsulfanylcyclobutyl)methyl]-1-propan-2-ylpyrrolidin-3-amine
SMILESCSC1(CNC2CCN(C(C)C)C2)CCC1
InChIInChI=1S/C13H26N2S/c1-11(2)15-8-5-12(9-15)14-10-13(16-3)6-4-7-13/h11-12,14H,4-10H2,1-3H3
InChIKeyDSGCIZCKLAJDTF-UHFFFAOYSA-N
XLogP2.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylcyclobutyl)methyl]-1-propan-2-ylpyrrolidin-3-amine
CID 115689744
1-propan-2-yl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrrolidin-3-amine
CID 115689748
N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 114115737
N-[(2-methylthiolan-2-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine
CID 80528637
4,4-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine
CID 107267245
N-[(1-methylsulfanylcyclobutyl)methyl]thietan-3-amine
CID 170900002
4-ethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine
CID 107267028
N-[(1-methylsulfanylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 107267283
2-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]ethanol
CID 147943395
N-(3-methyl-2-propan-2-ylbutyl)-1-propan-2-ylpyrrolidin-3-amine
CID 102904528
(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine
CID 94057880
(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 55299463

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-1-propan-2-ylpyrrolidin-3-amine (CID 107266934) is N-[(1-methylsulfanylcyclobutyl)methyl]-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-[(1-methylsulfanylcyclobutyl)methyl]-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-[(1-methylsulfanylcyclobutyl)methyl]-1-propan-2-ylpyrrolidin-3-amine is CSC1(CNC2CCN(C(C)C)C2)CCC1.
What is the InChIKey of N-[(1-methylsulfanylcyclobutyl)methyl]-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is DSGCIZCKLAJDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-11(2)15-8-5-12(9-15)14-10-13(16-3)6-4-7-13/h11-12,14H,4-10H2,1-3H3.
What are the key properties of N-[(1-methylsulfanylcyclobutyl)methyl]-1-propan-2-ylpyrrolidin-3-amine?
N-[(1-methylsulfanylcyclobutyl)methyl]-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 242.43 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclobutyl)methyl]-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 107266934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).