N-decyl-2,3-dihydro-1,4-benzodioxin-6-amine

C18H29NO2 — CID 63487624

IUPACN-decyl-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCCCCCCCCCCNc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H29NO2/c1-2-3-4-5-6-7-8-9-12-19-16-10-11-17-18(15-16)21-14-13-20-17/h10-11,15,19H,2-9,12-14H2,1H3
InChIKeyLISYISGAAWNZTG-UHFFFAOYSA-N
MW291.44 g/mol
LogP5.01
Rot. Bonds10

About N-decyl-2,3-dihydro-1,4-benzodioxin-6-amine

N-decyl-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 63487624) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-decyl-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound NameN-decyl-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID63487624
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-decyl-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCCCCCCCCCCNc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H29NO2/c1-2-3-4-5-6-7-8-9-12-19-16-10-11-17-18(15-16)21-14-13-20-17/h10-11,15,19H,2-9,12-14H2,1H3
InChIKeyLISYISGAAWNZTG-UHFFFAOYSA-N
XLogP5.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 28876640
N-butyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 15482224
N-(4,4-dimethylpentyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 114209373
methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)butanoate
CID 43377888
6-methyl-2,3-dihydro-1,4-benzodioxine;undecane
CID 144869652
N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 61494334
N-octan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43129743
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pentylamino)propanamide
CID 109032304
N-pent-3-ynyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 104744129
N-heptyl-3,4-dimethylaniline
CID 43129292
N-heptan-3-yl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 63945872
N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)decanamide
CID 100923504

Frequently Asked Questions

What is the IUPAC name of N-decyl-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of N-decyl-2,3-dihydro-1,4-benzodioxin-6-amine (CID 63487624) is N-decyl-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for N-decyl-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for N-decyl-2,3-dihydro-1,4-benzodioxin-6-amine is CCCCCCCCCCNc1ccc2c(c1)OCCO2.
What is the InChIKey of N-decyl-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is LISYISGAAWNZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-2-3-4-5-6-7-8-9-12-19-16-10-11-17-18(15-16)21-14-13-20-17/h10-11,15,19H,2-9,12-14H2,1H3.
What are the key properties of N-decyl-2,3-dihydro-1,4-benzodioxin-6-amine?
N-decyl-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 291.44 g/mol, XLogP of 5.01, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 63487624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).