N,N-dimethyl-3-(2-oxatricyclo[4.3.0.03,8]nona-3(8),4,6-trien-4-yl)propan-1-amine

C13H17NO — CID 67760908

IUPACN,N-dimethyl-3-(2-oxatricyclo[4.3.0.03,8]nona-3(8),4,6-trien-4-yl)propan-1-amine
SMILESCN(C)CCCc1cc2cc3c1OC2C3
InChIInChI=1S/C13H17NO/c1-14(2)5-3-4-9-6-10-7-11-8-12(10)15-13(9)11/h6-7,12H,3-5,8H2,1-2H3
InChIKeyVBMQGSFZIVNKSZ-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.17
Rot. Bonds4

About N,N-dimethyl-3-(2-oxatricyclo[4.3.0.03,8]nona-3(8),4,6-trien-4-yl)propan-1-amine

N,N-dimethyl-3-(2-oxatricyclo[4.3.0.03,8]nona-3(8),4,6-trien-4-yl)propan-1-amine (PubChem CID 67760908) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-oxatricyclo[4.3.0.03,8]nona-3(8),4,6-trien-4-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-oxatricyclo[4.3.0.03,8]nona-3(8),4,6-trien-4-yl)propan-1-amine
PubChem CID67760908
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN,N-dimethyl-3-(2-oxatricyclo[4.3.0.03,8]nona-3(8),4,6-trien-4-yl)propan-1-amine
SMILESCN(C)CCCc1cc2cc3c1OC2C3
InChIInChI=1S/C13H17NO/c1-14(2)5-3-4-9-6-10-7-11-8-12(10)15-13(9)11/h6-7,12H,3-5,8H2,1-2H3
InChIKeyVBMQGSFZIVNKSZ-UHFFFAOYSA-N
XLogP2.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-3-(2-oxatricyclo[4.3.0.03,8]nona-3(8),4,6-trien-4-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-oxatricyclo[4.3.0.03,8]nona-3(8),4,6-trien-4-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(2-oxatricyclo[4.3.0.03,8]nona-3(8),4,6-trien-4-yl)propan-1-amine (CID 67760908) is N,N-dimethyl-3-(2-oxatricyclo[4.3.0.03,8]nona-3(8),4,6-trien-4-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(2-oxatricyclo[4.3.0.03,8]nona-3(8),4,6-trien-4-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(2-oxatricyclo[4.3.0.03,8]nona-3(8),4,6-trien-4-yl)propan-1-amine is CN(C)CCCc1cc2cc3c1OC2C3.
What is the InChIKey of N,N-dimethyl-3-(2-oxatricyclo[4.3.0.03,8]nona-3(8),4,6-trien-4-yl)propan-1-amine?
The InChIKey is VBMQGSFZIVNKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-14(2)5-3-4-9-6-10-7-11-8-12(10)15-13(9)11/h6-7,12H,3-5,8H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(2-oxatricyclo[4.3.0.03,8]nona-3(8),4,6-trien-4-yl)propan-1-amine?
N,N-dimethyl-3-(2-oxatricyclo[4.3.0.03,8]nona-3(8),4,6-trien-4-yl)propan-1-amine has a molecular weight of 203.28 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-oxatricyclo[4.3.0.03,8]nona-3(8),4,6-trien-4-yl)propan-1-amine is sourced from PubChem (CID 67760908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).