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

C10H19NO2 — CID 104760773

IUPACN-[(3-methoxyoxolan-3-yl)methyl]but-3-en-1-amine
SMILESC=CCCNCC1(OC)CCOC1
InChIInChI=1S/C10H19NO2/c1-3-4-6-11-8-10(12-2)5-7-13-9-10/h3,11H,1,4-9H2,2H3
InChIKeyGQNXEQZUVMFTLR-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.96
Rot. Bonds6

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

N-[(3-methoxyoxolan-3-yl)methyl]but-3-en-1-amine (PubChem CID 104760773) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]but-3-en-1-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]but-3-en-1-amine
PubChem CID104760773
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]but-3-en-1-amine
SMILESC=CCCNCC1(OC)CCOC1
InChIInChI=1S/C10H19NO2/c1-3-4-6-11-8-10(12-2)5-7-13-9-10/h3,11H,1,4-9H2,2H3
InChIKeyGQNXEQZUVMFTLR-UHFFFAOYSA-N
XLogP0.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.96
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]but-3-en-1-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]but-3-en-1-amine (CID 104760773) is N-[(3-methoxyoxolan-3-yl)methyl]but-3-en-1-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]but-3-en-1-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]but-3-en-1-amine is C=CCCNCC1(OC)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]but-3-en-1-amine?
The InChIKey is GQNXEQZUVMFTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-4-6-11-8-10(12-2)5-7-13-9-10/h3,11H,1,4-9H2,2H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]but-3-en-1-amine?
N-[(3-methoxyoxolan-3-yl)methyl]but-3-en-1-amine has a molecular weight of 185.27 g/mol, XLogP of 0.96, 6 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]but-3-en-1-amine is sourced from PubChem (CID 104760773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).