N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3-dihydro-1,4-benzodioxin-6-amine

C18H23NO2 — CID 43503174

IUPACN-(8-tricyclo[5.2.1.02,6]decanyl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESc1cc2c(cc1NC1CC3CC1C1CCCC31)OCCO2
InChIInChI=1S/C18H23NO2/c1-2-13-11-8-15(14(13)3-1)16(9-11)19-12-4-5-17-18(10-12)21-7-6-20-17/h4-5,10-11,13-16,19H,1-3,6-9H2
InChIKeyGQQQDODLILUEBJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.69
Rot. Bonds2

About N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3-dihydro-1,4-benzodioxin-6-amine

N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 43503174) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound NameN-(8-tricyclo[5.2.1.02,6]decanyl)-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID43503174
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-(8-tricyclo[5.2.1.02,6]decanyl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESc1cc2c(cc1NC1CC3CC1C1CCCC31)OCCO2
InChIInChI=1S/C18H23NO2/c1-2-13-11-8-15(14(13)3-1)16(9-11)19-12-4-5-17-18(10-12)21-7-6-20-17/h4-5,10-11,13-16,19H,1-3,6-9H2
InChIKeyGQQQDODLILUEBJ-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.69
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-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine
CID 43503205
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclopentan-1-ol
CID 60886680
2-chloro-1-N,1-N-dimethyl-4-N-(8-tricyclo[5.2.1.02,6]decanyl)benzene-1,4-diamine
CID 63451178
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclohexan-1-ol
CID 60886931
3-N,3-N-dimethyl-1-N-(8-tricyclo[5.2.1.02,6]decanyl)benzene-1,3-diamine
CID 115376237
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
CID 124741256
N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193591
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 42952135
2-fluoro-5-(8-tricyclo[5.2.1.02,6]decanylamino)benzonitrile
CID 63477105
N-(3-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193592
N-(4-bromo-3-nitrophenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 79760146
3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1,3-diamine
CID 79462709

Frequently Asked Questions

What is the IUPAC name of N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3-dihydro-1,4-benzodioxin-6-amine (CID 43503174) is N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3-dihydro-1,4-benzodioxin-6-amine is c1cc2c(cc1NC1CC3CC1C1CCCC31)OCCO2.
What is the InChIKey of N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is GQQQDODLILUEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-13-11-8-15(14(13)3-1)16(9-11)19-12-4-5-17-18(10-12)21-7-6-20-17/h4-5,10-11,13-16,19H,1-3,6-9H2.
What are the key properties of N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 285.39 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 43503174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).