N,N-dimethyl-1-(1,2,3,5-tetrahydro-1-benzazepin-4-ylidene)methanamine

C13H18N2 — CID 150581530

IUPACN,N-dimethyl-1-(1,2,3,5-tetrahydro-1-benzazepin-4-ylidene)methanamine
SMILESCN(C)C=C1CCNc2ccccc2C1
InChIInChI=1S/C13H18N2/c1-15(2)10-11-7-8-14-13-6-4-3-5-12(13)9-11/h3-6,10,14H,7-9H2,1-2H3
InChIKeyINXVQPOUUZBYLU-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.49
Rot. Bonds1

About N,N-dimethyl-1-(1,2,3,5-tetrahydro-1-benzazepin-4-ylidene)methanamine

N,N-dimethyl-1-(1,2,3,5-tetrahydro-1-benzazepin-4-ylidene)methanamine (PubChem CID 150581530) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N,N-dimethyl-1-(1,2,3,5-tetrahydro-1-benzazepin-4-ylidene)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1,2,3,5-tetrahydro-1-benzazepin-4-ylidene)methanamine
PubChem CID150581530
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN,N-dimethyl-1-(1,2,3,5-tetrahydro-1-benzazepin-4-ylidene)methanamine
SMILESCN(C)C=C1CCNc2ccccc2C1
InChIInChI=1S/C13H18N2/c1-15(2)10-11-7-8-14-13-6-4-3-5-12(13)9-11/h3-6,10,14H,7-9H2,1-2H3
InChIKeyINXVQPOUUZBYLU-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1,2,3,5-tetrahydro-1-benzazepin-4-ylidene)methanamine?
The IUPAC name of N,N-dimethyl-1-(1,2,3,5-tetrahydro-1-benzazepin-4-ylidene)methanamine (CID 150581530) is N,N-dimethyl-1-(1,2,3,5-tetrahydro-1-benzazepin-4-ylidene)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(1,2,3,5-tetrahydro-1-benzazepin-4-ylidene)methanamine?
The canonical SMILES for N,N-dimethyl-1-(1,2,3,5-tetrahydro-1-benzazepin-4-ylidene)methanamine is CN(C)C=C1CCNc2ccccc2C1.
What is the InChIKey of N,N-dimethyl-1-(1,2,3,5-tetrahydro-1-benzazepin-4-ylidene)methanamine?
The InChIKey is INXVQPOUUZBYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-15(2)10-11-7-8-14-13-6-4-3-5-12(13)9-11/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(1,2,3,5-tetrahydro-1-benzazepin-4-ylidene)methanamine?
N,N-dimethyl-1-(1,2,3,5-tetrahydro-1-benzazepin-4-ylidene)methanamine has a molecular weight of 202.30 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1,2,3,5-tetrahydro-1-benzazepin-4-ylidene)methanamine is sourced from PubChem (CID 150581530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).