1-(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)-N,N-dimethylmethanamine

C20H25N3 — CID 14978292

IUPAC1-(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1=NC(C)(c2ccccc2)c2ccccc2CN1C
InChIInChI=1S/C20H25N3/c1-20(17-11-6-5-7-12-17)18-13-9-8-10-16(18)14-23(4)19(21-20)15-22(2)3/h5-13H,14-15H2,1-4H3
InChIKeySMGMGBWXVVPCRP-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.36
Rot. Bonds3

About 1-(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)-N,N-dimethylmethanamine

1-(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)-N,N-dimethylmethanamine (PubChem CID 14978292) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)-N,N-dimethylmethanamine
PubChem CID14978292
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name1-(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1=NC(C)(c2ccccc2)c2ccccc2CN1C
InChIInChI=1S/C20H25N3/c1-20(17-11-6-5-7-12-17)18-13-9-8-10-16(18)14-23(4)19(21-20)15-22(2)3/h5-13H,14-15H2,1-4H3
InChIKeySMGMGBWXVVPCRP-UHFFFAOYSA-N
XLogP3.36
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)-N,N-dimethylmethanamine (CID 14978292) is 1-(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)-N,N-dimethylmethanamine is CN(C)CC1=NC(C)(c2ccccc2)c2ccccc2CN1C.
What is the InChIKey of 1-(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)-N,N-dimethylmethanamine?
The InChIKey is SMGMGBWXVVPCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-20(17-11-6-5-7-12-17)18-13-9-8-10-16(18)14-23(4)19(21-20)15-22(2)3/h5-13H,14-15H2,1-4H3.
What are the key properties of 1-(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)-N,N-dimethylmethanamine?
1-(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)-N,N-dimethylmethanamine has a molecular weight of 307.44 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 14978292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).