3-(azetidin-1-yl)-N-prop-2-enylpropan-1-amine

C9H18N2 — CID 70621844

IUPAC3-(azetidin-1-yl)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCCCN1CCC1
InChIInChI=1S/C9H18N2/c1-2-5-10-6-3-7-11-8-4-9-11/h2,10H,1,3-9H2
InChIKeyIRLBCLUFDDUOEG-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.86
Rot. Bonds6

About 3-(azetidin-1-yl)-N-prop-2-enylpropan-1-amine

3-(azetidin-1-yl)-N-prop-2-enylpropan-1-amine (PubChem CID 70621844) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name3-(azetidin-1-yl)-N-prop-2-enylpropan-1-amine
PubChem CID70621844
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-(azetidin-1-yl)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCCCN1CCC1
InChIInChI=1S/C9H18N2/c1-2-5-10-6-3-7-11-8-4-9-11/h2,10H,1,3-9H2
InChIKeyIRLBCLUFDDUOEG-UHFFFAOYSA-N
XLogP0.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)-N-prop-2-enylpropan-1-amine?
The IUPAC name of 3-(azetidin-1-yl)-N-prop-2-enylpropan-1-amine (CID 70621844) is 3-(azetidin-1-yl)-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 3-(azetidin-1-yl)-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 3-(azetidin-1-yl)-N-prop-2-enylpropan-1-amine is C=CCNCCCN1CCC1.
What is the InChIKey of 3-(azetidin-1-yl)-N-prop-2-enylpropan-1-amine?
The InChIKey is IRLBCLUFDDUOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-5-10-6-3-7-11-8-4-9-11/h2,10H,1,3-9H2.
What are the key properties of 3-(azetidin-1-yl)-N-prop-2-enylpropan-1-amine?
3-(azetidin-1-yl)-N-prop-2-enylpropan-1-amine has a molecular weight of 154.26 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 70621844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).