N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)butan-1-amine

C16H25NO2 — CID 140557778

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)butan-1-amine
SMILESCCCCN(Cc1ccc2c(c1)OCO2)CC(C)C
InChIInChI=1S/C16H25NO2/c1-4-5-8-17(10-13(2)3)11-14-6-7-15-16(9-14)19-12-18-15/h6-7,9,13H,4-5,8,10-12H2,1-3H3
InChIKeyWUEDPFBWWOPWBU-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.67
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)butan-1-amine

N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)butan-1-amine (PubChem CID 140557778) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)butan-1-amine
PubChem CID140557778
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)butan-1-amine
SMILESCCCCN(Cc1ccc2c(c1)OCO2)CC(C)C
InChIInChI=1S/C16H25NO2/c1-4-5-8-17(10-13(2)3)11-14-6-7-15-16(9-14)19-12-18-15/h6-7,9,13H,4-5,8,10-12H2,1-3H3
InChIKeyWUEDPFBWWOPWBU-UHFFFAOYSA-N
XLogP3.67
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 162024292
1-[1,3-benzodioxol-5-ylmethyl-[(4-ethoxyphenyl)methyl]amino]propan-2-ol
CID 43818285
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-(2-methylpropyl)acetamide
CID 39384116
acetylene;5-ethyl-1,3-benzodioxole;2-methylpropane
CID 142810291
(2S)-1-[1,3-benzodioxol-5-ylmethyl-[(2,5-dimethylphenyl)methyl]amino]propan-2-ol
CID 93164723
1-(1,3-benzodioxol-5-yl)-N,N-dimethylpropan-2-amine
CID 551630
N-(1,3-benzodioxol-5-ylmethyl)butan-1-amine
CID 4721993
3-(1,3-benzodioxol-5-yl)-N,N-di(propan-2-yl)propan-1-amine
CID 20687152
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylethanesulfonamide
CID 61361658
N'-(1,3-benzodioxol-5-ylmethyl)-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 23937724
N-(1,3-benzodioxol-5-ylmethyl)-N-prop-2-enylprop-2-en-1-amine
CID 15932105
1-[1,3-benzodioxol-5-ylmethyl-[(6-methoxynaphthalen-2-yl)methyl]amino]propan-2-ol
CID 46962137

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)butan-1-amine (CID 140557778) is N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)butan-1-amine is CCCCN(Cc1ccc2c(c1)OCO2)CC(C)C.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is WUEDPFBWWOPWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-5-8-17(10-13(2)3)11-14-6-7-15-16(9-14)19-12-18-15/h6-7,9,13H,4-5,8,10-12H2,1-3H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)butan-1-amine?
N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 140557778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).