3-(oxolan-2-yl)propan-1-amine

C7H15NO — CID 22170041

IUPAC3-(oxolan-2-yl)propan-1-amine
SMILESNCCCC1CCCO1
InChIInChI=1S/C7H15NO/c8-5-1-3-7-4-2-6-9-7/h7H,1-6,8H2
InChIKeyRVTMIVWSLUDRBP-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.90
Rot. Bonds3

About 3-(oxolan-2-yl)propan-1-amine

3-(oxolan-2-yl)propan-1-amine (PubChem CID 22170041) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(oxolan-2-yl)propan-1-amine
PubChem CID22170041
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-(oxolan-2-yl)propan-1-amine
SMILESNCCCC1CCCO1
InChIInChI=1S/C7H15NO/c8-5-1-3-7-4-2-6-9-7/h7H,1-6,8H2
InChIKeyRVTMIVWSLUDRBP-UHFFFAOYSA-N
XLogP0.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 3-(oxolan-2-yl)propan-1-amine (CID 22170041) is 3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 3-(oxolan-2-yl)propan-1-amine is NCCCC1CCCO1.
What is the InChIKey of 3-(oxolan-2-yl)propan-1-amine?
The InChIKey is RVTMIVWSLUDRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c8-5-1-3-7-4-2-6-9-7/h7H,1-6,8H2.
What are the key properties of 3-(oxolan-2-yl)propan-1-amine?
3-(oxolan-2-yl)propan-1-amine has a molecular weight of 129.20 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 22170041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).