N-[(3-methoxyoxolan-3-yl)methyl]prop-2-en-1-amine

C9H17NO2 — CID 104760901

IUPACN-[(3-methoxyoxolan-3-yl)methyl]prop-2-en-1-amine
SMILESC=CCNCC1(OC)CCOC1
InChIInChI=1S/C9H17NO2/c1-3-5-10-7-9(11-2)4-6-12-8-9/h3,10H,1,4-8H2,2H3
InChIKeyZBJMKCZJCSJNAC-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.57
Rot. Bonds5

About N-[(3-methoxyoxolan-3-yl)methyl]prop-2-en-1-amine

N-[(3-methoxyoxolan-3-yl)methyl]prop-2-en-1-amine (PubChem CID 104760901) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]prop-2-en-1-amine
PubChem CID104760901
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]prop-2-en-1-amine
SMILESC=CCNCC1(OC)CCOC1
InChIInChI=1S/C9H17NO2/c1-3-5-10-7-9(11-2)4-6-12-8-9/h3,10H,1,4-8H2,2H3
InChIKeyZBJMKCZJCSJNAC-UHFFFAOYSA-N
XLogP0.57
TPSA30.49 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 ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[(3-methoxyoxolan-3-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]prop-2-en-1-amine (CID 104760901) is N-[(3-methoxyoxolan-3-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]prop-2-en-1-amine is C=CCNCC1(OC)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]prop-2-en-1-amine?
The InChIKey is ZBJMKCZJCSJNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-5-10-7-9(11-2)4-6-12-8-9/h3,10H,1,4-8H2,2H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]prop-2-en-1-amine?
N-[(3-methoxyoxolan-3-yl)methyl]prop-2-en-1-amine has a molecular weight of 171.24 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 104760901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).