N,N-dimethyl-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine;hydrochloride

C13H21ClN2 — CID 165145885

IUPACN,N-dimethyl-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine;hydrochloride
SMILESCN(C)CC1CCCNc2ccccc21.Cl
InChIInChI=1S/C13H20N2.ClH/c1-15(2)10-11-6-5-9-14-13-8-4-3-7-12(11)13;/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3;1H
InChIKeyBIQLEVRRZPMGTN-UHFFFAOYSA-N
MW240.78 g/mol
LogP2.96
Rot. Bonds2

About N,N-dimethyl-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine;hydrochloride

N,N-dimethyl-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine;hydrochloride (PubChem CID 165145885) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is N,N-dimethyl-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine;hydrochloride
PubChem CID165145885
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC NameN,N-dimethyl-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine;hydrochloride
SMILESCN(C)CC1CCCNc2ccccc21.Cl
InChIInChI=1S/C13H20N2.ClH/c1-15(2)10-11-6-5-9-14-13-8-4-3-7-12(11)13;/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3;1H
InChIKeyBIQLEVRRZPMGTN-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 52.96
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-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine;hydrochloride (CID 165145885) is N,N-dimethyl-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine;hydrochloride is CN(C)CC1CCCNc2ccccc21.Cl.
What is the InChIKey of N,N-dimethyl-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine;hydrochloride?
The InChIKey is BIQLEVRRZPMGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.ClH/c1-15(2)10-11-6-5-9-14-13-8-4-3-7-12(11)13;/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine;hydrochloride?
N,N-dimethyl-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine;hydrochloride has a molecular weight of 240.78 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 165145885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).