2-(4-amino-1-methylazepan-4-yl)acetamide

C9H19N3O — CID 83846985

IUPAC2-(4-amino-1-methylazepan-4-yl)acetamide
SMILESCN1CCCC(N)(CC(N)=O)CC1
InChIInChI=1S/C9H19N3O/c1-12-5-2-3-9(11,4-6-12)7-8(10)13/h2-7,11H2,1H3,(H2,10,13)
InChIKeyYISZADIPXJOSGB-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.32
Rot. Bonds2

About 2-(4-amino-1-methylazepan-4-yl)acetamide

2-(4-amino-1-methylazepan-4-yl)acetamide (PubChem CID 83846985) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(4-amino-1-methylazepan-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-1-methylazepan-4-yl)acetamide
PubChem CID83846985
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-(4-amino-1-methylazepan-4-yl)acetamide
SMILESCN1CCCC(N)(CC(N)=O)CC1
InChIInChI=1S/C9H19N3O/c1-12-5-2-3-9(11,4-6-12)7-8(10)13/h2-7,11H2,1H3,(H2,10,13)
InChIKeyYISZADIPXJOSGB-UHFFFAOYSA-N
XLogP-0.32
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1-methylazepan-4-yl)acetamide?
The IUPAC name of 2-(4-amino-1-methylazepan-4-yl)acetamide (CID 83846985) is 2-(4-amino-1-methylazepan-4-yl)acetamide.
What is the SMILES notation for 2-(4-amino-1-methylazepan-4-yl)acetamide?
The canonical SMILES for 2-(4-amino-1-methylazepan-4-yl)acetamide is CN1CCCC(N)(CC(N)=O)CC1.
What is the InChIKey of 2-(4-amino-1-methylazepan-4-yl)acetamide?
The InChIKey is YISZADIPXJOSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-12-5-2-3-9(11,4-6-12)7-8(10)13/h2-7,11H2,1H3,(H2,10,13).
What are the key properties of 2-(4-amino-1-methylazepan-4-yl)acetamide?
2-(4-amino-1-methylazepan-4-yl)acetamide has a molecular weight of 185.27 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1-methylazepan-4-yl)acetamide is sourced from PubChem (CID 83846985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).