N,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propan-1-amine

C15H24N2O — CID 10399784

IUPACN,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propan-1-amine
SMILESCN(C)CCCOc1ccc2c(c1)CCNCC2
InChIInChI=1S/C15H24N2O/c1-17(2)10-3-11-18-15-5-4-13-6-8-16-9-7-14(13)12-15/h4-5,12,16H,3,6-11H2,1-2H3
InChIKeyWJMSULOBJJLPMD-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.71
Rot. Bonds5

About N,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propan-1-amine

N,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propan-1-amine (PubChem CID 10399784) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propan-1-amine
PubChem CID10399784
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propan-1-amine
SMILESCN(C)CCCOc1ccc2c(c1)CCNCC2
InChIInChI=1S/C15H24N2O/c1-17(2)10-3-11-18-15-5-4-13-6-8-16-9-7-14(13)12-15/h4-5,12,16H,3,6-11H2,1-2H3
InChIKeyWJMSULOBJJLPMD-UHFFFAOYSA-N
XLogP1.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propan-1-amine (CID 10399784) is N,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propan-1-amine is CN(C)CCCOc1ccc2c(c1)CCNCC2.
What is the InChIKey of N,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propan-1-amine?
The InChIKey is WJMSULOBJJLPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17(2)10-3-11-18-15-5-4-13-6-8-16-9-7-14(13)12-15/h4-5,12,16H,3,6-11H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propan-1-amine?
N,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 1.71, 5 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-3-benzazepin-7-yloxy)propan-1-amine is sourced from PubChem (CID 10399784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).