N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine

C17H21NO2 — CID 43503205

IUPACN-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine
SMILESc1cc2c(cc1NC1CC3CC1C1CCCC31)OCO2
InChIInChI=1S/C17H21NO2/c1-2-12-10-6-14(13(12)3-1)15(7-10)18-11-4-5-16-17(8-11)20-9-19-16/h4-5,8,10,12-15,18H,1-3,6-7,9H2
InChIKeyRLXFIKLQAOCQJR-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.65
Rot. Bonds2

About N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine

N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine (PubChem CID 43503205) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine.

Molecular Properties

Compound NameN-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine
PubChem CID43503205
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine
SMILESc1cc2c(cc1NC1CC3CC1C1CCCC31)OCO2
InChIInChI=1S/C17H21NO2/c1-2-12-10-6-14(13(12)3-1)15(7-10)18-11-4-5-16-17(8-11)20-9-19-16/h4-5,8,10,12-15,18H,1-3,6-7,9H2
InChIKeyRLXFIKLQAOCQJR-UHFFFAOYSA-N
XLogP3.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.65
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)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43503174
N-(2-pyrrolidin-2-ylcyclopentyl)-1,3-benzodioxol-5-amine
CID 79536079
trans-(1S,2S)-2-(1,3-benzodioxol-5-ylamino)cyclohexan-1-ol
CID 102730964
3-N,3-N-dimethyl-1-N-(8-tricyclo[5.2.1.02,6]decanyl)benzene-1,3-diamine
CID 115376237
2-(1,3-benzodioxol-5-ylamino)cyclopentane-1-carbonitrile
CID 62741289
N-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine
CID 70140293
2-fluoro-5-(8-tricyclo[5.2.1.02,6]decanylamino)benzonitrile
CID 63477105
N-(4-bromo-3-nitrophenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 79760146
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclopentan-1-ol
CID 60886680
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
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 42952135
N-[2-[(dimethylamino)methyl]phenyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43750113

Frequently Asked Questions

What is the IUPAC name of N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine?
The IUPAC name of N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine (CID 43503205) is N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine.
What is the SMILES notation for N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine?
The canonical SMILES for N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine is c1cc2c(cc1NC1CC3CC1C1CCCC31)OCO2.
What is the InChIKey of N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine?
The InChIKey is RLXFIKLQAOCQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-12-10-6-14(13(12)3-1)15(7-10)18-11-4-5-16-17(8-11)20-9-19-16/h4-5,8,10,12-15,18H,1-3,6-7,9H2.
What are the key properties of N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine?
N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine has a molecular weight of 271.36 g/mol, XLogP of 3.65, 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)-1,3-benzodioxol-5-amine is sourced from PubChem (CID 43503205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).