2-[2-(aminomethyl)-1,4-oxazepan-4-yl]-N-methylacetamide

C9H19N3O2 — CID 131054195

IUPAC2-[2-(aminomethyl)-1,4-oxazepan-4-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCCOC(CN)C1
InChIInChI=1S/C9H19N3O2/c1-11-9(13)7-12-3-2-4-14-8(5-10)6-12/h8H,2-7,10H2,1H3,(H,11,13)
InChIKeyNQIUTSXXHQTUIA-UHFFFAOYSA-N
MW201.27 g/mol
LogP-1.22
Rot. Bonds3

About 2-[2-(aminomethyl)-1,4-oxazepan-4-yl]-N-methylacetamide

2-[2-(aminomethyl)-1,4-oxazepan-4-yl]-N-methylacetamide (PubChem CID 131054195) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-1,4-oxazepan-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-1,4-oxazepan-4-yl]-N-methylacetamide
PubChem CID131054195
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-[2-(aminomethyl)-1,4-oxazepan-4-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCCOC(CN)C1
InChIInChI=1S/C9H19N3O2/c1-11-9(13)7-12-3-2-4-14-8(5-10)6-12/h8H,2-7,10H2,1H3,(H,11,13)
InChIKeyNQIUTSXXHQTUIA-UHFFFAOYSA-N
XLogP-1.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)morpholin-4-yl]-N-methylacetamide
CID 61336632
2-[2-(aminomethyl)morpholin-4-yl]-N-propylacetamide
CID 61336633
2-[2-(aminomethyl)morpholin-4-yl]-N-cycloheptylacetamide
CID 62548940
2-[2-(aminomethyl)morpholin-4-yl]-N-butylacetamide
CID 61485522
2-[2-(aminomethyl)morpholin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 114395245
1-[2-(aminomethyl)-1,4-oxazepan-4-yl]-2-methylpropan-2-ol
CID 131115600
2-[2-(aminomethyl)morpholin-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 61337607
[4-(2-methylpropyl)-1,4-oxazepan-2-yl]methanamine
CID 131115606
2-[2-(aminomethyl)morpholin-4-yl]-N-(cyclopropylcarbamoyl)acetamide
CID 114394847
2-(2-ethyl-1,4-oxazepan-4-yl)acetic acid
CID 130485509
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 114398610
2-[2-(aminomethyl)morpholin-4-yl]-N-phenylacetamide
CID 61336829

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-1,4-oxazepan-4-yl]-N-methylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-1,4-oxazepan-4-yl]-N-methylacetamide (CID 131054195) is 2-[2-(aminomethyl)-1,4-oxazepan-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-1,4-oxazepan-4-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-1,4-oxazepan-4-yl]-N-methylacetamide is CNC(=O)CN1CCCOC(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-1,4-oxazepan-4-yl]-N-methylacetamide?
The InChIKey is NQIUTSXXHQTUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-11-9(13)7-12-3-2-4-14-8(5-10)6-12/h8H,2-7,10H2,1H3,(H,11,13).
What are the key properties of 2-[2-(aminomethyl)-1,4-oxazepan-4-yl]-N-methylacetamide?
2-[2-(aminomethyl)-1,4-oxazepan-4-yl]-N-methylacetamide has a molecular weight of 201.27 g/mol, XLogP of -1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-1,4-oxazepan-4-yl]-N-methylacetamide is sourced from PubChem (CID 131054195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).