[1-[2-(3-methylpyrrolidin-1-yl)ethyl]azetidin-2-yl]methanamine

C11H23N3 — CID 165493072

IUPAC[1-[2-(3-methylpyrrolidin-1-yl)ethyl]azetidin-2-yl]methanamine
SMILESCC1CCN(CCN2CCC2CN)C1
InChIInChI=1S/C11H23N3/c1-10-2-4-13(9-10)6-7-14-5-3-11(14)8-12/h10-11H,2-9,12H2,1H3
InChIKeyCALIUUGUVQMKKZ-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.36
Rot. Bonds4

About [1-[2-(3-methylpyrrolidin-1-yl)ethyl]azetidin-2-yl]methanamine

[1-[2-(3-methylpyrrolidin-1-yl)ethyl]azetidin-2-yl]methanamine (PubChem CID 165493072) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is [1-[2-(3-methylpyrrolidin-1-yl)ethyl]azetidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(3-methylpyrrolidin-1-yl)ethyl]azetidin-2-yl]methanamine
PubChem CID165493072
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name[1-[2-(3-methylpyrrolidin-1-yl)ethyl]azetidin-2-yl]methanamine
SMILESCC1CCN(CCN2CCC2CN)C1
InChIInChI=1S/C11H23N3/c1-10-2-4-13(9-10)6-7-14-5-3-11(14)8-12/h10-11H,2-9,12H2,1H3
InChIKeyCALIUUGUVQMKKZ-UHFFFAOYSA-N
XLogP0.36
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidin-4-amine
CID 79328360
[1-(3-methylsulfanylpropyl)azetidin-2-yl]methanamine
CID 84655025
2-(3-methylpyrrolidin-1-yl)ethanol
CID 22706983
1-(3-fluorobutyl)-3-methylpyrrolidine
CID 130660857
[4-methyl-1-(4-methylpentyl)piperidin-2-yl]methanamine
CID 83158891
N-[2-(3-methylpyrrolidin-1-yl)ethyl]pentan-2-amine
CID 62561816
(1-butyl-4-methylpiperidin-2-yl)methanamine
CID 63839555
[1-(3,3-dimethylbutyl)-4-methylpiperidin-2-yl]methanamine
CID 63841352
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-dimethylethanamine
CID 63840214
[1-(2-propan-2-ylsulfanylethyl)azetidin-2-yl]methanamine
CID 84661694
[4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanamine
CID 63841522
CID 23403793
CID 23403793

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3-methylpyrrolidin-1-yl)ethyl]azetidin-2-yl]methanamine?
The IUPAC name of [1-[2-(3-methylpyrrolidin-1-yl)ethyl]azetidin-2-yl]methanamine (CID 165493072) is [1-[2-(3-methylpyrrolidin-1-yl)ethyl]azetidin-2-yl]methanamine.
What is the SMILES notation for [1-[2-(3-methylpyrrolidin-1-yl)ethyl]azetidin-2-yl]methanamine?
The canonical SMILES for [1-[2-(3-methylpyrrolidin-1-yl)ethyl]azetidin-2-yl]methanamine is CC1CCN(CCN2CCC2CN)C1.
What is the InChIKey of [1-[2-(3-methylpyrrolidin-1-yl)ethyl]azetidin-2-yl]methanamine?
The InChIKey is CALIUUGUVQMKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-10-2-4-13(9-10)6-7-14-5-3-11(14)8-12/h10-11H,2-9,12H2,1H3.
What are the key properties of [1-[2-(3-methylpyrrolidin-1-yl)ethyl]azetidin-2-yl]methanamine?
[1-[2-(3-methylpyrrolidin-1-yl)ethyl]azetidin-2-yl]methanamine has a molecular weight of 197.33 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3-methylpyrrolidin-1-yl)ethyl]azetidin-2-yl]methanamine is sourced from PubChem (CID 165493072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).