3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine

C12H23N3 — CID 91076438

IUPAC3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine
SMILESCN1CCC(CN2CC(CN3CC3)C2)C1
InChIInChI=1S/C12H23N3/c1-13-3-2-11(6-13)7-15-9-12(10-15)8-14-4-5-14/h11-12H,2-10H2,1H3
InChIKeyNZJPADOVBRZFTH-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.19
Rot. Bonds4

About 3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine

3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine (PubChem CID 91076438) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine
PubChem CID91076438
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine
SMILESCN1CCC(CN2CC(CN3CC3)C2)C1
InChIInChI=1S/C12H23N3/c1-13-3-2-11(6-13)7-15-9-12(10-15)8-14-4-5-14/h11-12H,2-10H2,1H3
InChIKeyNZJPADOVBRZFTH-UHFFFAOYSA-N
XLogP0.19
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 169319865
1,4-bis[(1-methylazetidin-3-yl)methyl]piperazine
CID 169319674
1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-one
CID 60854921
1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine
CID 19028453
[1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanamine
CID 156595342
3-(azepan-1-ylmethyl)-1-methylazocane
CID 129168492
1-(1-methylpiperidin-4-yl)-4-[(1-propylazetidin-3-yl)methyl]piperazine
CID 165136754
ethane;1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylpiperazine
CID 142407871
1-methyl-4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine
CID 170617047
5-methyl-2-[(1-methylpiperidin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 162741705
1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 155218428
(3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine
CID 134177865

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine?
The IUPAC name of 3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine (CID 91076438) is 3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine.
What is the SMILES notation for 3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine?
The canonical SMILES for 3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine is CN1CCC(CN2CC(CN3CC3)C2)C1.
What is the InChIKey of 3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine?
The InChIKey is NZJPADOVBRZFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-13-3-2-11(6-13)7-15-9-12(10-15)8-14-4-5-14/h11-12H,2-10H2,1H3.
What are the key properties of 3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine?
3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine has a molecular weight of 209.34 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine is sourced from PubChem (CID 91076438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).