N-methyl-N-[(7-methyl-4H-azepin-2-yl)methyl]acetamide

C11H16N2O — CID 143678108

IUPACN-methyl-N-[(7-methyl-4H-azepin-2-yl)methyl]acetamide
SMILESCC(=O)N(C)CC1=CCC=CC(C)=N1
InChIInChI=1S/C11H16N2O/c1-9-6-4-5-7-11(12-9)8-13(3)10(2)14/h4,6-7H,5,8H2,1-3H3
InChIKeyWQSXWSDTQQMMKM-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.77
Rot. Bonds2

About N-methyl-N-[(7-methyl-4H-azepin-2-yl)methyl]acetamide

N-methyl-N-[(7-methyl-4H-azepin-2-yl)methyl]acetamide (PubChem CID 143678108) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-methyl-N-[(7-methyl-4H-azepin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(7-methyl-4H-azepin-2-yl)methyl]acetamide
PubChem CID143678108
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-methyl-N-[(7-methyl-4H-azepin-2-yl)methyl]acetamide
SMILESCC(=O)N(C)CC1=CCC=CC(C)=N1
InChIInChI=1S/C11H16N2O/c1-9-6-4-5-7-11(12-9)8-13(3)10(2)14/h4,6-7H,5,8H2,1-3H3
InChIKeyWQSXWSDTQQMMKM-UHFFFAOYSA-N
XLogP1.77
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(7-methyl-4H-azepin-2-yl)methyl]acetamide?
The IUPAC name of N-methyl-N-[(7-methyl-4H-azepin-2-yl)methyl]acetamide (CID 143678108) is N-methyl-N-[(7-methyl-4H-azepin-2-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-N-[(7-methyl-4H-azepin-2-yl)methyl]acetamide?
The canonical SMILES for N-methyl-N-[(7-methyl-4H-azepin-2-yl)methyl]acetamide is CC(=O)N(C)CC1=CCC=CC(C)=N1.
What is the InChIKey of N-methyl-N-[(7-methyl-4H-azepin-2-yl)methyl]acetamide?
The InChIKey is WQSXWSDTQQMMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9-6-4-5-7-11(12-9)8-13(3)10(2)14/h4,6-7H,5,8H2,1-3H3.
What are the key properties of N-methyl-N-[(7-methyl-4H-azepin-2-yl)methyl]acetamide?
N-methyl-N-[(7-methyl-4H-azepin-2-yl)methyl]acetamide has a molecular weight of 192.26 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(7-methyl-4H-azepin-2-yl)methyl]acetamide is sourced from PubChem (CID 143678108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).