N'-(cyclobutylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N'-dimethylethane-1,2-diamine

C17H26N2O2 — CID 62860778

IUPACN'-(cyclobutylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCNC(CN(C)CC1CCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H26N2O2/c1-18-15(12-19(2)11-13-4-3-5-13)14-6-7-16-17(10-14)21-9-8-20-16/h6-7,10,13,15,18H,3-5,8-9,11-12H2,1-2H3
InChIKeyVKHJJGYEZJXMJQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.45
Rot. Bonds6

About N'-(cyclobutylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N'-dimethylethane-1,2-diamine

N'-(cyclobutylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 62860778) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N'-(cyclobutylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclobutylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N'-dimethylethane-1,2-diamine
PubChem CID62860778
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN'-(cyclobutylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCNC(CN(C)CC1CCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H26N2O2/c1-18-15(12-19(2)11-13-4-3-5-13)14-6-7-16-17(10-14)21-9-8-20-16/h6-7,10,13,15,18H,3-5,8-9,11-12H2,1-2H3
InChIKeyVKHJJGYEZJXMJQ-UHFFFAOYSA-N
XLogP2.45
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-(cyclobutylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N'-dimethylethane-1,2-diamine with MolForge

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N'-(cyclopentylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 63631410
N'-(cyclohexylmethyl)-1-(4-ethylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 63468506
1-(3,4-dimethylphenyl)-N,N'-dimethyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63726652
(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylamino)propan-1-ol
CID 95445608
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylamino)propan-1-ol
CID 64813643
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N,3,3-trimethylbutan-1-amine
CID 43482082
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-N-methylpropan-1-amine
CID 55115956
2-chloro-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylethanamine
CID 116952587
1-(1-benzofuran-2-yl)-N'-(cyclobutylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 62862357
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloctan-1-amine
CID 43483285
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylnonan-1-amine
CID 65447633
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpent-4-en-1-amine
CID 104987213

Frequently Asked Questions

What is the IUPAC name of N'-(cyclobutylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(cyclobutylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N'-dimethylethane-1,2-diamine (CID 62860778) is N'-(cyclobutylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(cyclobutylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(cyclobutylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N'-dimethylethane-1,2-diamine is CNC(CN(C)CC1CCC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N'-(cyclobutylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is VKHJJGYEZJXMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-18-15(12-19(2)11-13-4-3-5-13)14-6-7-16-17(10-14)21-9-8-20-16/h6-7,10,13,15,18H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of N'-(cyclobutylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N'-dimethylethane-1,2-diamine?
N'-(cyclobutylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 290.41 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclobutylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 62860778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).