(1,5-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-4-yl)methanamine

C12H19N3 — CID 69238197

IUPAC(1,5-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-4-yl)methanamine
SMILESCN1CCC(CN)N(C)c2ccccc21
InChIInChI=1S/C12H19N3/c1-14-8-7-10(9-13)15(2)12-6-4-3-5-11(12)14/h3-6,10H,7-9,13H2,1-2H3
InChIKeyBLCGTHUAOZPFFX-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.29
Rot. Bonds1

About (1,5-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-4-yl)methanamine

(1,5-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-4-yl)methanamine (PubChem CID 69238197) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is (1,5-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-4-yl)methanamine.

Molecular Properties

Compound Name(1,5-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-4-yl)methanamine
PubChem CID69238197
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name(1,5-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-4-yl)methanamine
SMILESCN1CCC(CN)N(C)c2ccccc21
InChIInChI=1S/C12H19N3/c1-14-8-7-10(9-13)15(2)12-6-4-3-5-11(12)14/h3-6,10H,7-9,13H2,1-2H3
InChIKeyBLCGTHUAOZPFFX-UHFFFAOYSA-N
XLogP1.29
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-4-yl)methanamine?
The IUPAC name of (1,5-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-4-yl)methanamine (CID 69238197) is (1,5-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-4-yl)methanamine.
What is the SMILES notation for (1,5-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-4-yl)methanamine?
The canonical SMILES for (1,5-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-4-yl)methanamine is CN1CCC(CN)N(C)c2ccccc21.
What is the InChIKey of (1,5-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-4-yl)methanamine?
The InChIKey is BLCGTHUAOZPFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-14-8-7-10(9-13)15(2)12-6-4-3-5-11(12)14/h3-6,10H,7-9,13H2,1-2H3.
What are the key properties of (1,5-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-4-yl)methanamine?
(1,5-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-4-yl)methanamine has a molecular weight of 205.31 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-4-yl)methanamine is sourced from PubChem (CID 69238197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).