1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(1H-pyrrol-3-yl)methanamine

C11H19N3O — CID 116913048

IUPAC1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(1H-pyrrol-3-yl)methanamine
SMILESCN(C)C(c1cc[nH]c1)C1(CN)COC1
InChIInChI=1S/C11H19N3O/c1-14(2)10(9-3-4-13-5-9)11(6-12)7-15-8-11/h3-5,10,13H,6-8,12H2,1-2H3
InChIKeyNLUXCMFXMQTKRP-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.59
Rot. Bonds4

About 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(1H-pyrrol-3-yl)methanamine

1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(1H-pyrrol-3-yl)methanamine (PubChem CID 116913048) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(1H-pyrrol-3-yl)methanamine.

Molecular Properties

Compound Name1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(1H-pyrrol-3-yl)methanamine
PubChem CID116913048
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(1H-pyrrol-3-yl)methanamine
SMILESCN(C)C(c1cc[nH]c1)C1(CN)COC1
InChIInChI=1S/C11H19N3O/c1-14(2)10(9-3-4-13-5-9)11(6-12)7-15-8-11/h3-5,10,13H,6-8,12H2,1-2H3
InChIKeyNLUXCMFXMQTKRP-UHFFFAOYSA-N
XLogP0.59
TPSA54.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(1H-pyrrol-3-yl)methanamine?
The IUPAC name of 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(1H-pyrrol-3-yl)methanamine (CID 116913048) is 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(1H-pyrrol-3-yl)methanamine.
What is the SMILES notation for 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(1H-pyrrol-3-yl)methanamine?
The canonical SMILES for 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(1H-pyrrol-3-yl)methanamine is CN(C)C(c1cc[nH]c1)C1(CN)COC1.
What is the InChIKey of 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(1H-pyrrol-3-yl)methanamine?
The InChIKey is NLUXCMFXMQTKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-14(2)10(9-3-4-13-5-9)11(6-12)7-15-8-11/h3-5,10,13H,6-8,12H2,1-2H3.
What are the key properties of 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(1H-pyrrol-3-yl)methanamine?
1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(1H-pyrrol-3-yl)methanamine has a molecular weight of 209.29 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(1H-pyrrol-3-yl)methanamine is sourced from PubChem (CID 116913048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).