N-[[5-(1,3-benzodioxol-5-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine

C16H23NO4 — CID 62449795

IUPACN-[[5-(1,3-benzodioxol-5-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(COc2ccc3c(c2)OCO3)O1
InChIInChI=1S/C16H23NO4/c1-2-7-17-9-13-3-4-14(21-13)10-18-12-5-6-15-16(8-12)20-11-19-15/h5-6,8,13-14,17H,2-4,7,9-11H2,1H3
InChIKeyULXNMDNJGMHRTF-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.34
Rot. Bonds7

About N-[[5-(1,3-benzodioxol-5-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine

N-[[5-(1,3-benzodioxol-5-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine (PubChem CID 62449795) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[[5-(1,3-benzodioxol-5-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(1,3-benzodioxol-5-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine
PubChem CID62449795
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-[[5-(1,3-benzodioxol-5-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(COc2ccc3c(c2)OCO3)O1
InChIInChI=1S/C16H23NO4/c1-2-7-17-9-13-3-4-14(21-13)10-18-12-5-6-15-16(8-12)20-11-19-15/h5-6,8,13-14,17H,2-4,7,9-11H2,1H3
InChIKeyULXNMDNJGMHRTF-UHFFFAOYSA-N
XLogP2.34
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[5-(1,3-benzodioxol-5-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62450156
N-[[5-[(2,4-dichlorophenoxy)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62459378
N-[[2-(1,3-benzodioxol-5-yloxy)-4-pyridinyl]methyl]propan-1-amine
CID 62295833
4-(1,3-benzodioxol-5-yloxy)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)butan-1-amine
CID 13289725
N-[[5-(2-butoxyethoxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62457736
6-(oxiran-2-ylmethoxy)-2,3-dihydro-1,4-benzodioxine
CID 123641845
N-[[5-[(4-chloro-3-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62449780
[4-[2-(1,3-benzodioxol-5-yl)-1-[4-[2-(cyclohexylmethylamino)ethoxy]phenyl]but-1-enyl]phenyl] dihydrogen phosphite
CID 67846625
2-(1,3-benzodioxol-5-yloxy)-N-(butylcarbamoyl)acetamide
CID 9137733
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]propan-2-amine
CID 14809521
5-(2-methylpropoxy)-1,3-benzodioxole
CID 59144833
[4-[2-(1,3-benzodioxol-5-yl)-1-[4-[2-(cyclohexylmethylamino)ethoxy]phenyl]but-1-enyl]phenyl] cyclopropanecarboxylate
CID 67846544

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-benzodioxol-5-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(1,3-benzodioxol-5-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine (CID 62449795) is N-[[5-(1,3-benzodioxol-5-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(1,3-benzodioxol-5-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(1,3-benzodioxol-5-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine is CCCNCC1CCC(COc2ccc3c(c2)OCO3)O1.
What is the InChIKey of N-[[5-(1,3-benzodioxol-5-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is ULXNMDNJGMHRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-2-7-17-9-13-3-4-14(21-13)10-18-12-5-6-15-16(8-12)20-11-19-15/h5-6,8,13-14,17H,2-4,7,9-11H2,1H3.
What are the key properties of N-[[5-(1,3-benzodioxol-5-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine?
N-[[5-(1,3-benzodioxol-5-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 293.36 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-benzodioxol-5-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62449795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).