N-ethyl-N-methyl-2-[(2-methyl-4H-azepin-6-yl)amino]acetamide

C12H19N3O — CID 134406083

IUPACN-ethyl-N-methyl-2-[(2-methyl-4H-azepin-6-yl)amino]acetamide
SMILESCCN(C)C(=O)CNC1=CCC=C(C)N=C1
InChIInChI=1S/C12H19N3O/c1-4-15(3)12(16)9-14-11-7-5-6-10(2)13-8-11/h6-8,14H,4-5,9H2,1-3H3
InChIKeyJMHQTSSGAJMMLI-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.32
Rot. Bonds4

About N-ethyl-N-methyl-2-[(2-methyl-4H-azepin-6-yl)amino]acetamide

N-ethyl-N-methyl-2-[(2-methyl-4H-azepin-6-yl)amino]acetamide (PubChem CID 134406083) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[(2-methyl-4H-azepin-6-yl)amino]acetamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[(2-methyl-4H-azepin-6-yl)amino]acetamide
PubChem CID134406083
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-ethyl-N-methyl-2-[(2-methyl-4H-azepin-6-yl)amino]acetamide
SMILESCCN(C)C(=O)CNC1=CCC=C(C)N=C1
InChIInChI=1S/C12H19N3O/c1-4-15(3)12(16)9-14-11-7-5-6-10(2)13-8-11/h6-8,14H,4-5,9H2,1-3H3
InChIKeyJMHQTSSGAJMMLI-UHFFFAOYSA-N
XLogP1.32
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[(2-methyl-4H-azepin-6-yl)amino]acetamide?
The IUPAC name of N-ethyl-N-methyl-2-[(2-methyl-4H-azepin-6-yl)amino]acetamide (CID 134406083) is N-ethyl-N-methyl-2-[(2-methyl-4H-azepin-6-yl)amino]acetamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[(2-methyl-4H-azepin-6-yl)amino]acetamide?
The canonical SMILES for N-ethyl-N-methyl-2-[(2-methyl-4H-azepin-6-yl)amino]acetamide is CCN(C)C(=O)CNC1=CCC=C(C)N=C1.
What is the InChIKey of N-ethyl-N-methyl-2-[(2-methyl-4H-azepin-6-yl)amino]acetamide?
The InChIKey is JMHQTSSGAJMMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-15(3)12(16)9-14-11-7-5-6-10(2)13-8-11/h6-8,14H,4-5,9H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-2-[(2-methyl-4H-azepin-6-yl)amino]acetamide?
N-ethyl-N-methyl-2-[(2-methyl-4H-azepin-6-yl)amino]acetamide has a molecular weight of 221.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[(2-methyl-4H-azepin-6-yl)amino]acetamide is sourced from PubChem (CID 134406083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).