N-methyl-N-propan-2-yl-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-amine

C11H15NO2 — CID 167471712

IUPACN-methyl-N-propan-2-yl-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-amine
SMILESCC(C)N(C)c1ccc2cc1OCO2
InChIInChI=1S/C11H15NO2/c1-8(2)12(3)10-5-4-9-6-11(10)14-7-13-9/h4-6,8H,7H2,1-3H3
InChIKeyLGXANIIZLROUTQ-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.26
Rot. Bonds2

About N-methyl-N-propan-2-yl-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-amine

N-methyl-N-propan-2-yl-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-amine (PubChem CID 167471712) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-amine.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-amine
PubChem CID167471712
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-methyl-N-propan-2-yl-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-amine
SMILESCC(C)N(C)c1ccc2cc1OCO2
InChIInChI=1S/C11H15NO2/c1-8(2)12(3)10-5-4-9-6-11(10)14-7-13-9/h4-6,8H,7H2,1-3H3
InChIKeyLGXANIIZLROUTQ-UHFFFAOYSA-N
XLogP2.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.26
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

N-methyl-N-propan-2-yl-1,3-benzodioxol-4-amine
CID 163258308
1-(2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-yl)-1-ethylthiourea
CID 141036083
2-[1-(2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-yl)ethyl]quinoline
CID 162787754
2-acetyloxy-2-(2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-yl)acetic acid
CID 139624006
N-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propan-2-amine
CID 117044240
2-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-1,1-dimethylhydrazine
CID 83005657
2-N-methyl-2-N-(6-methyl-1,3-benzodioxol-5-yl)propane-1,2-diamine
CID 117039946
2-bromo-N-methyl-N-propan-2-ylaniline
CID 53401387
2-(1,3-benzodioxol-5-yl)propan-1-ol
CID 82075044
2-(1,3-benzodioxol-5-yl)-3-methylbutan-2-amine
CID 82283449
[3-methyl-4-[methyl(propan-2-yl)amino]phenyl]methanol
CID 62121374
3-(1,3-benzodioxol-5-yl)-N,N-di(propan-2-yl)propan-1-amine
CID 20687152

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-amine?
The IUPAC name of N-methyl-N-propan-2-yl-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-amine (CID 167471712) is N-methyl-N-propan-2-yl-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-amine.
What is the SMILES notation for N-methyl-N-propan-2-yl-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-amine?
The canonical SMILES for N-methyl-N-propan-2-yl-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-amine is CC(C)N(C)c1ccc2cc1OCO2.
What is the InChIKey of N-methyl-N-propan-2-yl-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-amine?
The InChIKey is LGXANIIZLROUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(2)12(3)10-5-4-9-6-11(10)14-7-13-9/h4-6,8H,7H2,1-3H3.
What are the key properties of N-methyl-N-propan-2-yl-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-amine?
N-methyl-N-propan-2-yl-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-amine has a molecular weight of 193.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-amine is sourced from PubChem (CID 167471712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).