2-(oxolan-3-ylmethoxymethyl)prop-2-en-1-amine

C9H17NO2 — CID 103074696

IUPAC2-(oxolan-3-ylmethoxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COCC1CCOC1
InChIInChI=1S/C9H17NO2/c1-8(4-10)5-12-7-9-2-3-11-6-9/h9H,1-7,10H2
InChIKeyHUUMQEKPBUEVFO-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.55
Rot. Bonds5

About 2-(oxolan-3-ylmethoxymethyl)prop-2-en-1-amine

2-(oxolan-3-ylmethoxymethyl)prop-2-en-1-amine (PubChem CID 103074696) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(oxolan-3-ylmethoxymethyl)prop-2-en-1-amine
PubChem CID103074696
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(oxolan-3-ylmethoxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COCC1CCOC1
InChIInChI=1S/C9H17NO2/c1-8(4-10)5-12-7-9-2-3-11-6-9/h9H,1-7,10H2
InChIKeyHUUMQEKPBUEVFO-UHFFFAOYSA-N
XLogP0.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Oxolan-3-ylmethoxy)but-2-en-1-amine
CID 77110198
2-(3-Methylbutoxymethyl)prop-2-en-1-amine
CID 103074387
N-ethyl-2-(oxolan-3-ylmethoxymethyl)prop-2-en-1-amine
CID 103074691
2-(oxolan-3-ylmethoxymethyl)-N-propylprop-2-en-1-amine
CID 103074695
N-methyl-2-(oxolan-3-ylmethoxymethyl)prop-2-en-1-amine
CID 103074697
2-[(3-Methoxy-3-methylbutoxy)methyl]prop-2-en-1-amine
CID 106666328

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethoxymethyl)prop-2-en-1-amine?
The IUPAC name of 2-(oxolan-3-ylmethoxymethyl)prop-2-en-1-amine (CID 103074696) is 2-(oxolan-3-ylmethoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(oxolan-3-ylmethoxymethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(oxolan-3-ylmethoxymethyl)prop-2-en-1-amine is C=C(CN)COCC1CCOC1.
What is the InChIKey of 2-(oxolan-3-ylmethoxymethyl)prop-2-en-1-amine?
The InChIKey is HUUMQEKPBUEVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(4-10)5-12-7-9-2-3-11-6-9/h9H,1-7,10H2.
What are the key properties of 2-(oxolan-3-ylmethoxymethyl)prop-2-en-1-amine?
2-(oxolan-3-ylmethoxymethyl)prop-2-en-1-amine has a molecular weight of 171.24 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).