N-methyl-1,2-benzodiazepin-2-amine

C10H11N3 — CID 21396036

IUPACN-methyl-1,2-benzodiazepin-2-amine
SMILESCNN1C=CC=c2ccccc2=N1
InChIInChI=1S/C10H11N3/c1-11-13-8-4-6-9-5-2-3-7-10(9)12-13/h2-8,11H,1H3
InChIKeyOLBFEJJRUZJXFX-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.03
Rot. Bonds1

About N-methyl-1,2-benzodiazepin-2-amine

N-methyl-1,2-benzodiazepin-2-amine (PubChem CID 21396036) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is N-methyl-1,2-benzodiazepin-2-amine.

Molecular Properties

Compound NameN-methyl-1,2-benzodiazepin-2-amine
PubChem CID21396036
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC NameN-methyl-1,2-benzodiazepin-2-amine
SMILESCNN1C=CC=c2ccccc2=N1
InChIInChI=1S/C10H11N3/c1-11-13-8-4-6-9-5-2-3-7-10(9)12-13/h2-8,11H,1H3
InChIKeyOLBFEJJRUZJXFX-UHFFFAOYSA-N
XLogP-0.03
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,2-benzodiazepin-2-amine?
The IUPAC name of N-methyl-1,2-benzodiazepin-2-amine (CID 21396036) is N-methyl-1,2-benzodiazepin-2-amine.
What is the SMILES notation for N-methyl-1,2-benzodiazepin-2-amine?
The canonical SMILES for N-methyl-1,2-benzodiazepin-2-amine is CNN1C=CC=c2ccccc2=N1.
What is the InChIKey of N-methyl-1,2-benzodiazepin-2-amine?
The InChIKey is OLBFEJJRUZJXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-11-13-8-4-6-9-5-2-3-7-10(9)12-13/h2-8,11H,1H3.
What are the key properties of N-methyl-1,2-benzodiazepin-2-amine?
N-methyl-1,2-benzodiazepin-2-amine has a molecular weight of 173.22 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,2-benzodiazepin-2-amine is sourced from PubChem (CID 21396036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).