3-(4-azatricyclo[5.2.2.02,6]undecan-4-yl)-N,N-dimethylpropan-1-amine

C15H28N2 — CID 15634191

IUPAC3-(4-azatricyclo[5.2.2.02,6]undecan-4-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CC2C3CCC(CC3)C2C1
InChIInChI=1S/C15H28N2/c1-16(2)8-3-9-17-10-14-12-4-5-13(7-6-12)15(14)11-17/h12-15H,3-11H2,1-2H3
InChIKeyXIGOUYOYBNFUEG-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.31
Rot. Bonds4

About 3-(4-azatricyclo[5.2.2.02,6]undecan-4-yl)-N,N-dimethylpropan-1-amine

3-(4-azatricyclo[5.2.2.02,6]undecan-4-yl)-N,N-dimethylpropan-1-amine (PubChem CID 15634191) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 3-(4-azatricyclo[5.2.2.02,6]undecan-4-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(4-azatricyclo[5.2.2.02,6]undecan-4-yl)-N,N-dimethylpropan-1-amine
PubChem CID15634191
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name3-(4-azatricyclo[5.2.2.02,6]undecan-4-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CC2C3CCC(CC3)C2C1
InChIInChI=1S/C15H28N2/c1-16(2)8-3-9-17-10-14-12-4-5-13(7-6-12)15(14)11-17/h12-15H,3-11H2,1-2H3
InChIKeyXIGOUYOYBNFUEG-UHFFFAOYSA-N
XLogP2.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-azatricyclo[5.2.2.02,6]undecan-4-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(4-azatricyclo[5.2.2.02,6]undecan-4-yl)-N,N-dimethylpropan-1-amine (CID 15634191) is 3-(4-azatricyclo[5.2.2.02,6]undecan-4-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(4-azatricyclo[5.2.2.02,6]undecan-4-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(4-azatricyclo[5.2.2.02,6]undecan-4-yl)-N,N-dimethylpropan-1-amine is CN(C)CCCN1CC2C3CCC(CC3)C2C1.
What is the InChIKey of 3-(4-azatricyclo[5.2.2.02,6]undecan-4-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is XIGOUYOYBNFUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-16(2)8-3-9-17-10-14-12-4-5-13(7-6-12)15(14)11-17/h12-15H,3-11H2,1-2H3.
What are the key properties of 3-(4-azatricyclo[5.2.2.02,6]undecan-4-yl)-N,N-dimethylpropan-1-amine?
3-(4-azatricyclo[5.2.2.02,6]undecan-4-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 236.40 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-azatricyclo[5.2.2.02,6]undecan-4-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 15634191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).