[1-(azetidin-3-yl)-3-methylpiperidin-2-yl]methanamine

C10H21N3 — CID 130622217

IUPAC[1-(azetidin-3-yl)-3-methylpiperidin-2-yl]methanamine
SMILESCC1CCCN(C2CNC2)C1CN
InChIInChI=1S/C10H21N3/c1-8-3-2-4-13(10(8)5-11)9-6-12-7-9/h8-10,12H,2-7,11H2,1H3
InChIKeyNMPDSJQOFQYGIP-UHFFFAOYSA-N
MW183.30 g/mol
LogP0.02
Rot. Bonds2

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

[1-(azetidin-3-yl)-3-methylpiperidin-2-yl]methanamine (PubChem CID 130622217) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is [1-(azetidin-3-yl)-3-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(azetidin-3-yl)-3-methylpiperidin-2-yl]methanamine
PubChem CID130622217
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name[1-(azetidin-3-yl)-3-methylpiperidin-2-yl]methanamine
SMILESCC1CCCN(C2CNC2)C1CN
InChIInChI=1S/C10H21N3/c1-8-3-2-4-13(10(8)5-11)9-6-12-7-9/h8-10,12H,2-7,11H2,1H3
InChIKeyNMPDSJQOFQYGIP-UHFFFAOYSA-N
XLogP0.02
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(azetidin-3-yl)-3-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(azetidin-3-yl)-3-methylpiperidin-2-yl]methanamine (CID 130622217) is [1-(azetidin-3-yl)-3-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(azetidin-3-yl)-3-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(azetidin-3-yl)-3-methylpiperidin-2-yl]methanamine is CC1CCCN(C2CNC2)C1CN.
What is the InChIKey of [1-(azetidin-3-yl)-3-methylpiperidin-2-yl]methanamine?
The InChIKey is NMPDSJQOFQYGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-8-3-2-4-13(10(8)5-11)9-6-12-7-9/h8-10,12H,2-7,11H2,1H3.
What are the key properties of [1-(azetidin-3-yl)-3-methylpiperidin-2-yl]methanamine?
[1-(azetidin-3-yl)-3-methylpiperidin-2-yl]methanamine has a molecular weight of 183.30 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azetidin-3-yl)-3-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 130622217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).