N,N-dimethylacetamide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine

C13H25N3O — CID 71226524

IUPACN,N-dimethylacetamide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
SMILESC1CCC2=NCCCN2CC1.CC(=O)N(C)C
InChIInChI=1S/C9H16N2.C4H9NO/c1-2-5-9-10-6-4-8-11(9)7-3-1;1-4(6)5(2)3/h1-8H2;1-3H3
InChIKeyIAXANEDUTFWZIK-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.76
Rot. Bonds

About N,N-dimethylacetamide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine

N,N-dimethylacetamide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (PubChem CID 71226524) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N,N-dimethylacetamide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine.

Molecular Properties

Compound NameN,N-dimethylacetamide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
PubChem CID71226524
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN,N-dimethylacetamide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
SMILESC1CCC2=NCCCN2CC1.CC(=O)N(C)C
InChIInChI=1S/C9H16N2.C4H9NO/c1-2-5-9-10-6-4-8-11(9)7-3-1;1-4(6)5(2)3/h1-8H2;1-3H3
InChIKeyIAXANEDUTFWZIK-UHFFFAOYSA-N
XLogP1.76
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylacetamide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine?
The IUPAC name of N,N-dimethylacetamide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (CID 71226524) is N,N-dimethylacetamide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine.
What is the SMILES notation for N,N-dimethylacetamide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine?
The canonical SMILES for N,N-dimethylacetamide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine is C1CCC2=NCCCN2CC1.CC(=O)N(C)C.
What is the InChIKey of N,N-dimethylacetamide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine?
The InChIKey is IAXANEDUTFWZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.C4H9NO/c1-2-5-9-10-6-4-8-11(9)7-3-1;1-4(6)5(2)3/h1-8H2;1-3H3.
What are the key properties of N,N-dimethylacetamide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine?
N,N-dimethylacetamide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine has a molecular weight of 239.36 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylacetamide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine is sourced from PubChem (CID 71226524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).