N,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-1,6-benzodiazocin-6-yl)propan-1-amine

C15H25N3 — CID 117015745

IUPACN,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-1,6-benzodiazocin-6-yl)propan-1-amine
SMILESCN(C)CCCN1CCCCNc2ccccc21
InChIInChI=1S/C15H25N3/c1-17(2)11-7-13-18-12-6-5-10-16-14-8-3-4-9-15(14)18/h3-4,8-9,16H,5-7,10-13H2,1-2H3
InChIKeyATXCFVZZEHLBGY-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.65
Rot. Bonds4

About N,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-1,6-benzodiazocin-6-yl)propan-1-amine

N,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-1,6-benzodiazocin-6-yl)propan-1-amine (PubChem CID 117015745) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-1,6-benzodiazocin-6-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-1,6-benzodiazocin-6-yl)propan-1-amine
PubChem CID117015745
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-1,6-benzodiazocin-6-yl)propan-1-amine
SMILESCN(C)CCCN1CCCCNc2ccccc21
InChIInChI=1S/C15H25N3/c1-17(2)11-7-13-18-12-6-5-10-16-14-8-3-4-9-15(14)18/h3-4,8-9,16H,5-7,10-13H2,1-2H3
InChIKeyATXCFVZZEHLBGY-UHFFFAOYSA-N
XLogP2.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-1,6-benzodiazocin-6-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-1,6-benzodiazocin-6-yl)propan-1-amine (CID 117015745) is N,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-1,6-benzodiazocin-6-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-1,6-benzodiazocin-6-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-1,6-benzodiazocin-6-yl)propan-1-amine is CN(C)CCCN1CCCCNc2ccccc21.
What is the InChIKey of N,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-1,6-benzodiazocin-6-yl)propan-1-amine?
The InChIKey is ATXCFVZZEHLBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-17(2)11-7-13-18-12-6-5-10-16-14-8-3-4-9-15(14)18/h3-4,8-9,16H,5-7,10-13H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-1,6-benzodiazocin-6-yl)propan-1-amine?
N,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-1,6-benzodiazocin-6-yl)propan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-1,6-benzodiazocin-6-yl)propan-1-amine is sourced from PubChem (CID 117015745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).