N-[2-(azetidin-3-yl)ethyl]propan-1-amine

C8H18N2 — CID 116679505

IUPACN-[2-(azetidin-3-yl)ethyl]propan-1-amine
SMILESCCCNCCC1CNC1
InChIInChI=1S/C8H18N2/c1-2-4-9-5-3-8-6-10-7-8/h8-10H,2-7H2,1H3
InChIKeyJLKBFVRMMMQAIV-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.60
Rot. Bonds5

About N-[2-(azetidin-3-yl)ethyl]propan-1-amine

N-[2-(azetidin-3-yl)ethyl]propan-1-amine (PubChem CID 116679505) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N-[2-(azetidin-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-yl)ethyl]propan-1-amine
PubChem CID116679505
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN-[2-(azetidin-3-yl)ethyl]propan-1-amine
SMILESCCCNCCC1CNC1
InChIInChI=1S/C8H18N2/c1-2-4-9-5-3-8-6-10-7-8/h8-10H,2-7H2,1H3
InChIKeyJLKBFVRMMMQAIV-UHFFFAOYSA-N
XLogP0.60
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(azetidin-3-yl)ethyl]propan-1-amine (CID 116679505) is N-[2-(azetidin-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(azetidin-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(azetidin-3-yl)ethyl]propan-1-amine is CCCNCCC1CNC1.
What is the InChIKey of N-[2-(azetidin-3-yl)ethyl]propan-1-amine?
The InChIKey is JLKBFVRMMMQAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-2-4-9-5-3-8-6-10-7-8/h8-10H,2-7H2,1H3.
What are the key properties of N-[2-(azetidin-3-yl)ethyl]propan-1-amine?
N-[2-(azetidin-3-yl)ethyl]propan-1-amine has a molecular weight of 142.25 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 116679505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).