N,N-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-amine

C13H14N2O — CID 123214625

IUPACN,N-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-amine
SMILESCN(C)c1ccc2c3c(ccnc13)CCO2
InChIInChI=1S/C13H14N2O/c1-15(2)10-3-4-11-12-9(6-8-16-11)5-7-14-13(10)12/h3-5,7H,6,8H2,1-2H3
InChIKeyZJFIIQKWAXEJAI-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.24
Rot. Bonds1

About N,N-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-amine

N,N-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-amine (PubChem CID 123214625) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is N,N-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-amine
PubChem CID123214625
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC NameN,N-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-amine
SMILESCN(C)c1ccc2c3c(ccnc13)CCO2
InChIInChI=1S/C13H14N2O/c1-15(2)10-3-4-11-12-9(6-8-16-11)5-7-14-13(10)12/h3-5,7H,6,8H2,1-2H3
InChIKeyZJFIIQKWAXEJAI-UHFFFAOYSA-N
XLogP2.24
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.24
H-Bond Donors ≤ 50
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

10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene
CID 59606778
10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene
CID 159489420
bis(7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-ylboronic acid);bis(5,6-dihydro-4H-benzo[de]quinolin-9-ylboronic acid);bis(10-oxa-4-azatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaen-6-ylboronic acid);bis(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-ylboronic acid);tetrahydrochloride
CID 161059306
10-bromo-7-chloro-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-bromo-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene
CID 159363074
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine
CID 145016330
2-[4-fluoro-3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid
CID 129162966
1-(cyclopropylmethyl)-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one
CID 154464559
2-[6-chloro-5-fluoro-3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid
CID 123824695
(2S)-2-[5,7-difluoro-3,6-dimethyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 67126287
1-[3,7-dimethyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
CID 118027183
ethyl (2S)-2-[(2-methylpropan-2-yl)oxy]-2-[10-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)phenanthren-9-yl]acetate
CID 118027241
2-[2-acetamido-5-methyl-7-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1,3-benzothiazol-6-yl]acetic acid
CID 89180856

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-amine?
The IUPAC name of N,N-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-amine (CID 123214625) is N,N-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-amine.
What is the SMILES notation for N,N-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-amine?
The canonical SMILES for N,N-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-amine is CN(C)c1ccc2c3c(ccnc13)CCO2.
What is the InChIKey of N,N-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-amine?
The InChIKey is ZJFIIQKWAXEJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-15(2)10-3-4-11-12-9(6-8-16-11)5-7-14-13(10)12/h3-5,7H,6,8H2,1-2H3.
What are the key properties of N,N-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-amine?
N,N-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-amine has a molecular weight of 214.27 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-amine is sourced from PubChem (CID 123214625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).