N-(2,6-dimethylheptan-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine

C17H27NO2 — CID 29035143

IUPACN-(2,6-dimethylheptan-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCC(C)CC(CC(C)C)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H27NO2/c1-12(2)9-15(10-13(3)4)18-14-5-6-16-17(11-14)20-8-7-19-16/h5-6,11-13,15,18H,7-10H2,1-4H3
InChIKeyJONWSENJHFKNNG-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.33
Rot. Bonds6

About N-(2,6-dimethylheptan-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine

N-(2,6-dimethylheptan-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 29035143) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(2,6-dimethylheptan-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound NameN-(2,6-dimethylheptan-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID29035143
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-(2,6-dimethylheptan-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCC(C)CC(CC(C)C)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H27NO2/c1-12(2)9-15(10-13(3)4)18-14-5-6-16-17(11-14)20-8-7-19-16/h5-6,11-13,15,18H,7-10H2,1-4H3
InChIKeyJONWSENJHFKNNG-UHFFFAOYSA-N
XLogP4.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(5-methylhexan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43098963
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
CID 103387198
N-(1-cyclopropylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115903256
N-heptan-3-yl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 63945872
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-propylpropanamide
CID 43086701
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-methylbutanenitrile
CID 82128876
(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propan-2-ol
CID 39242231
N-[1-(5-methylfuran-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193618
methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanoate
CID 22592459
2-(1,3-benzodioxol-5-ylamino)-N-(3-methylbutyl)propanamide
CID 43112699
N-octan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43129743
N-[1-(4-methylphenyl)propyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193633

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylheptan-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of N-(2,6-dimethylheptan-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine (CID 29035143) is N-(2,6-dimethylheptan-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for N-(2,6-dimethylheptan-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for N-(2,6-dimethylheptan-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine is CC(C)CC(CC(C)C)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,6-dimethylheptan-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is JONWSENJHFKNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)9-15(10-13(3)4)18-14-5-6-16-17(11-14)20-8-7-19-16/h5-6,11-13,15,18H,7-10H2,1-4H3.
What are the key properties of N-(2,6-dimethylheptan-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine?
N-(2,6-dimethylheptan-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 277.41 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylheptan-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 29035143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).