7-ethyl-N-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-amine

C12H19N3 — CID 154958360

IUPAC7-ethyl-N-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-amine
SMILESCCc1ccc2c(c1)N(NC)CCCN2
InChIInChI=1S/C12H19N3/c1-3-10-5-6-11-12(9-10)15(13-2)8-4-7-14-11/h5-6,9,13-14H,3-4,7-8H2,1-2H3
InChIKeyLDTVBTQLABSVGV-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.01
Rot. Bonds2

About 7-ethyl-N-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-amine

7-ethyl-N-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-amine (PubChem CID 154958360) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 7-ethyl-N-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-amine.

Molecular Properties

Compound Name7-ethyl-N-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-amine
PubChem CID154958360
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name7-ethyl-N-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-amine
SMILESCCc1ccc2c(c1)N(NC)CCCN2
InChIInChI=1S/C12H19N3/c1-3-10-5-6-11-12(9-10)15(13-2)8-4-7-14-11/h5-6,9,13-14H,3-4,7-8H2,1-2H3
InChIKeyLDTVBTQLABSVGV-UHFFFAOYSA-N
XLogP2.01
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-amine?
The IUPAC name of 7-ethyl-N-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-amine (CID 154958360) is 7-ethyl-N-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-amine.
What is the SMILES notation for 7-ethyl-N-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-amine?
The canonical SMILES for 7-ethyl-N-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-amine is CCc1ccc2c(c1)N(NC)CCCN2.
What is the InChIKey of 7-ethyl-N-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-amine?
The InChIKey is LDTVBTQLABSVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-10-5-6-11-12(9-10)15(13-2)8-4-7-14-11/h5-6,9,13-14H,3-4,7-8H2,1-2H3.
What are the key properties of 7-ethyl-N-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-amine?
7-ethyl-N-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-amine has a molecular weight of 205.30 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-amine is sourced from PubChem (CID 154958360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).