N-[(3-methoxyoxolan-3-yl)methyl]pent-4-en-1-amine

C11H21NO2 — CID 104760906

IUPACN-[(3-methoxyoxolan-3-yl)methyl]pent-4-en-1-amine
SMILESC=CCCCNCC1(OC)CCOC1
InChIInChI=1S/C11H21NO2/c1-3-4-5-7-12-9-11(13-2)6-8-14-10-11/h3,12H,1,4-10H2,2H3
InChIKeySVIYYMZTTLLZKU-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.35
Rot. Bonds7

About N-[(3-methoxyoxolan-3-yl)methyl]pent-4-en-1-amine

N-[(3-methoxyoxolan-3-yl)methyl]pent-4-en-1-amine (PubChem CID 104760906) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]pent-4-en-1-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]pent-4-en-1-amine
PubChem CID104760906
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]pent-4-en-1-amine
SMILESC=CCCCNCC1(OC)CCOC1
InChIInChI=1S/C11H21NO2/c1-3-4-5-7-12-9-11(13-2)6-8-14-10-11/h3,12H,1,4-10H2,2H3
InChIKeySVIYYMZTTLLZKU-UHFFFAOYSA-N
XLogP1.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.35
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]pent-4-en-1-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]pent-4-en-1-amine (CID 104760906) is N-[(3-methoxyoxolan-3-yl)methyl]pent-4-en-1-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]pent-4-en-1-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]pent-4-en-1-amine is C=CCCCNCC1(OC)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]pent-4-en-1-amine?
The InChIKey is SVIYYMZTTLLZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-4-5-7-12-9-11(13-2)6-8-14-10-11/h3,12H,1,4-10H2,2H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]pent-4-en-1-amine?
N-[(3-methoxyoxolan-3-yl)methyl]pent-4-en-1-amine has a molecular weight of 199.29 g/mol, XLogP of 1.35, 7 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]pent-4-en-1-amine is sourced from PubChem (CID 104760906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).