5-(1,3-benzodioxol-5-ylmethoxy)-N-propylpentan-1-amine

C16H25NO3 — CID 62445733

IUPAC5-(1,3-benzodioxol-5-ylmethoxy)-N-propylpentan-1-amine
SMILESCCCNCCCCCOCc1ccc2c(c1)OCO2
InChIInChI=1S/C16H25NO3/c1-2-8-17-9-4-3-5-10-18-12-14-6-7-15-16(11-14)20-13-19-15/h6-7,11,17H,2-5,8-10,12-13H2,1H3
InChIKeyFSGXWSOLIYJKFP-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.10
Rot. Bonds10

About 5-(1,3-benzodioxol-5-ylmethoxy)-N-propylpentan-1-amine

5-(1,3-benzodioxol-5-ylmethoxy)-N-propylpentan-1-amine (PubChem CID 62445733) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-ylmethoxy)-N-propylpentan-1-amine.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-ylmethoxy)-N-propylpentan-1-amine
PubChem CID62445733
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name5-(1,3-benzodioxol-5-ylmethoxy)-N-propylpentan-1-amine
SMILESCCCNCCCCCOCc1ccc2c(c1)OCO2
InChIInChI=1S/C16H25NO3/c1-2-8-17-9-4-3-5-10-18-12-14-6-7-15-16(11-14)20-13-19-15/h6-7,11,17H,2-5,8-10,12-13H2,1H3
InChIKeyFSGXWSOLIYJKFP-UHFFFAOYSA-N
XLogP3.10
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-benzodioxol-5-ylmethoxy)-N-ethylpropan-1-amine
CID 62445902
5-(propoxymethyl)-1,3-benzodioxole
CID 10262036
5-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine
CID 54966297
4-(1,3-benzodioxol-5-ylmethoxy)-N-propylpentan-1-amine
CID 62445732
5-(6-propan-2-yloxyhexoxymethyl)-1,3-benzodioxole
CID 163959918
N-[3-(1,3-benzodioxol-5-ylmethoxy)propyl]cyclopropanamine
CID 62445720
N-(1,3-benzodioxol-5-ylmethyl)butan-1-amine
CID 4721993
5-(methoxymethoxymethyl)-1,3-benzodioxole
CID 20689919
5-[2-(trideuteriomethoxy)ethoxymethyl]-1,3-benzodioxole
CID 171395116
5-(2-methoxyethoxymethoxymethyl)-1,3-benzodioxole
CID 13257944
6-(4-bromobutoxymethyl)-2,3-dihydro-1,4-benzodioxine
CID 54195828
N-(2-butoxyethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 61483321

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-ylmethoxy)-N-propylpentan-1-amine?
The IUPAC name of 5-(1,3-benzodioxol-5-ylmethoxy)-N-propylpentan-1-amine (CID 62445733) is 5-(1,3-benzodioxol-5-ylmethoxy)-N-propylpentan-1-amine.
What is the SMILES notation for 5-(1,3-benzodioxol-5-ylmethoxy)-N-propylpentan-1-amine?
The canonical SMILES for 5-(1,3-benzodioxol-5-ylmethoxy)-N-propylpentan-1-amine is CCCNCCCCCOCc1ccc2c(c1)OCO2.
What is the InChIKey of 5-(1,3-benzodioxol-5-ylmethoxy)-N-propylpentan-1-amine?
The InChIKey is FSGXWSOLIYJKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-2-8-17-9-4-3-5-10-18-12-14-6-7-15-16(11-14)20-13-19-15/h6-7,11,17H,2-5,8-10,12-13H2,1H3.
What are the key properties of 5-(1,3-benzodioxol-5-ylmethoxy)-N-propylpentan-1-amine?
5-(1,3-benzodioxol-5-ylmethoxy)-N-propylpentan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 3.10, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-ylmethoxy)-N-propylpentan-1-amine is sourced from PubChem (CID 62445733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).