4-N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methoxypentane-1,4-diamine

C15H24N2O3 — CID 103388237

IUPAC4-N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)NC(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H24N2O3/c1-11(17-13(9-18-2)4-3-7-16)12-5-6-14-15(8-12)20-10-19-14/h5-6,8,11,13,17H,3-4,7,9-10,16H2,1-2H3
InChIKeyQNLDXYHDAYKJGL-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.82
Rot. Bonds8

About 4-N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methoxypentane-1,4-diamine

4-N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methoxypentane-1,4-diamine (PubChem CID 103388237) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methoxypentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methoxypentane-1,4-diamine
PubChem CID103388237
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)NC(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H24N2O3/c1-11(17-13(9-18-2)4-3-7-16)12-5-6-14-15(8-12)20-10-19-14/h5-6,8,11,13,17H,3-4,7,9-10,16H2,1-2H3
InChIKeyQNLDXYHDAYKJGL-UHFFFAOYSA-N
XLogP1.82
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-N-[1-(4-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 103390275
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 43689410
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271782
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 112831404
N-(4-amino-1-methoxybutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 106152620
2-[1-(1,3-benzodioxol-5-yl)ethylamino]propanamide
CID 43403044
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 63990132
4-N-[1-(2,4-dimethylphenyl)ethyl]-5-methoxypentane-1,4-diamine
CID 103389173
6-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]hexanamide
CID 43704415
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-3-methylbutan-1-ol
CID 79254425
1-(1,3-benzodioxol-5-yl)-N-methylethanamine
CID 6424509
(1S)-1-(1,3-benzodioxol-5-yl)-N-chloroethanamine
CID 118697739

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methoxypentane-1,4-diamine?
The IUPAC name of 4-N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methoxypentane-1,4-diamine (CID 103388237) is 4-N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methoxypentane-1,4-diamine.
What is the SMILES notation for 4-N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methoxypentane-1,4-diamine?
The canonical SMILES for 4-N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methoxypentane-1,4-diamine is COCC(CCCN)NC(C)c1ccc2c(c1)OCO2.
What is the InChIKey of 4-N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methoxypentane-1,4-diamine?
The InChIKey is QNLDXYHDAYKJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(17-13(9-18-2)4-3-7-16)12-5-6-14-15(8-12)20-10-19-14/h5-6,8,11,13,17H,3-4,7,9-10,16H2,1-2H3.
What are the key properties of 4-N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methoxypentane-1,4-diamine?
4-N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methoxypentane-1,4-diamine has a molecular weight of 280.37 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methoxypentane-1,4-diamine is sourced from PubChem (CID 103388237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).