2-amino-N-[2-(azepan-1-yl)ethyl]acetamide

C10H21N3O — CID 61241166

IUPAC2-amino-N-[2-(azepan-1-yl)ethyl]acetamide
SMILESNCC(=O)NCCN1CCCCCC1
InChIInChI=1S/C10H21N3O/c11-9-10(14)12-5-8-13-6-3-1-2-4-7-13/h1-9,11H2,(H,12,14)
InChIKeyBTPBNLAYZALPRH-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.06
Rot. Bonds4

About 2-amino-N-[2-(azepan-1-yl)ethyl]acetamide

2-amino-N-[2-(azepan-1-yl)ethyl]acetamide (PubChem CID 61241166) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-amino-N-[2-(azepan-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(azepan-1-yl)ethyl]acetamide
PubChem CID61241166
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-amino-N-[2-(azepan-1-yl)ethyl]acetamide
SMILESNCC(=O)NCCN1CCCCCC1
InChIInChI=1S/C10H21N3O/c11-9-10(14)12-5-8-13-6-3-1-2-4-7-13/h1-9,11H2,(H,12,14)
InChIKeyBTPBNLAYZALPRH-UHFFFAOYSA-N
XLogP-0.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(azepan-1-yl)ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(azepan-1-yl)ethyl]acetamide (CID 61241166) is 2-amino-N-[2-(azepan-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(azepan-1-yl)ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(azepan-1-yl)ethyl]acetamide is NCC(=O)NCCN1CCCCCC1.
What is the InChIKey of 2-amino-N-[2-(azepan-1-yl)ethyl]acetamide?
The InChIKey is BTPBNLAYZALPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c11-9-10(14)12-5-8-13-6-3-1-2-4-7-13/h1-9,11H2,(H,12,14).
What are the key properties of 2-amino-N-[2-(azepan-1-yl)ethyl]acetamide?
2-amino-N-[2-(azepan-1-yl)ethyl]acetamide has a molecular weight of 199.30 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(azepan-1-yl)ethyl]acetamide is sourced from PubChem (CID 61241166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).