3-(9,10-dihydrobenzo[c][1,2]benzodiazepin-5-yl)-N,N-dimethylpropan-1-amine

C18H23N3 — CID 125494841

IUPAC3-(9,10-dihydrobenzo[c][1,2]benzodiazepin-5-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1N=C2C=CCCC2=Cc2ccccc21
InChIInChI=1S/C18H23N3/c1-20(2)12-7-13-21-18-11-6-4-9-16(18)14-15-8-3-5-10-17(15)19-21/h4-6,9-11,14H,3,7-8,12-13H2,1-2H3
InChIKeyGLQOQELCZPEJEI-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.55
Rot. Bonds4

About 3-(9,10-dihydrobenzo[c][1,2]benzodiazepin-5-yl)-N,N-dimethylpropan-1-amine

3-(9,10-dihydrobenzo[c][1,2]benzodiazepin-5-yl)-N,N-dimethylpropan-1-amine (PubChem CID 125494841) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-(9,10-dihydrobenzo[c][1,2]benzodiazepin-5-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(9,10-dihydrobenzo[c][1,2]benzodiazepin-5-yl)-N,N-dimethylpropan-1-amine
PubChem CID125494841
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name3-(9,10-dihydrobenzo[c][1,2]benzodiazepin-5-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1N=C2C=CCCC2=Cc2ccccc21
InChIInChI=1S/C18H23N3/c1-20(2)12-7-13-21-18-11-6-4-9-16(18)14-15-8-3-5-10-17(15)19-21/h4-6,9-11,14H,3,7-8,12-13H2,1-2H3
InChIKeyGLQOQELCZPEJEI-UHFFFAOYSA-N
XLogP3.55
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(9,10-dihydrobenzo[c][1,2]benzodiazepin-5-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(9,10-dihydrobenzo[c][1,2]benzodiazepin-5-yl)-N,N-dimethylpropan-1-amine (CID 125494841) is 3-(9,10-dihydrobenzo[c][1,2]benzodiazepin-5-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(9,10-dihydrobenzo[c][1,2]benzodiazepin-5-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(9,10-dihydrobenzo[c][1,2]benzodiazepin-5-yl)-N,N-dimethylpropan-1-amine is CN(C)CCCN1N=C2C=CCCC2=Cc2ccccc21.
What is the InChIKey of 3-(9,10-dihydrobenzo[c][1,2]benzodiazepin-5-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is GLQOQELCZPEJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-20(2)12-7-13-21-18-11-6-4-9-16(18)14-15-8-3-5-10-17(15)19-21/h4-6,9-11,14H,3,7-8,12-13H2,1-2H3.
What are the key properties of 3-(9,10-dihydrobenzo[c][1,2]benzodiazepin-5-yl)-N,N-dimethylpropan-1-amine?
3-(9,10-dihydrobenzo[c][1,2]benzodiazepin-5-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,10-dihydrobenzo[c][1,2]benzodiazepin-5-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 125494841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).