N-[2-(azepan-4-ylamino)ethyl]acetamide

C10H21N3O — CID 103980758

IUPACN-[2-(azepan-4-ylamino)ethyl]acetamide
SMILESCC(=O)NCCNC1CCCNCC1
InChIInChI=1S/C10H21N3O/c1-9(14)12-7-8-13-10-3-2-5-11-6-4-10/h10-11,13H,2-8H2,1H3,(H,12,14)
InChIKeyISHFQIJQVIWZLE-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.15
Rot. Bonds4

About N-[2-(azepan-4-ylamino)ethyl]acetamide

N-[2-(azepan-4-ylamino)ethyl]acetamide (PubChem CID 103980758) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N-[2-(azepan-4-ylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(azepan-4-ylamino)ethyl]acetamide
PubChem CID103980758
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN-[2-(azepan-4-ylamino)ethyl]acetamide
SMILESCC(=O)NCCNC1CCCNCC1
InChIInChI=1S/C10H21N3O/c1-9(14)12-7-8-13-10-3-2-5-11-6-4-10/h10-11,13H,2-8H2,1H3,(H,12,14)
InChIKeyISHFQIJQVIWZLE-UHFFFAOYSA-N
XLogP-0.15
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclononylamino)ethyl]acetamide
CID 154969023
2-(piperidin-4-ylamino)ethylurea
CID 83109296
3-(azepan-4-ylamino)-N-cyclopropylpropanamide
CID 103982443
N-(2-piperidin-1-ylethyl)azepan-4-amine
CID 103981872
4-(azepan-4-ylamino)butan-2-ol
CID 103982285
N-[2-[(3-aminocyclohexyl)amino]ethyl]acetamide
CID 79459016
ethyl 4-(azepan-4-ylamino)butanoate
CID 103982256
2-[(azepan-4-ylamino)methyl]cyclopentan-1-ol
CID 103982373
5-(azepan-4-ylamino)pentan-1-ol
CID 107316728
N-[3-(cyclopropylamino)propyl]acetamide
CID 43596501
N-(2-piperidin-4-ylethyl)acetamide;hydrochloride
CID 70084913
N-[2-(cycloheptylamino)ethyl]pyrrolidine-3-carboxamide
CID 122080782

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-4-ylamino)ethyl]acetamide?
The IUPAC name of N-[2-(azepan-4-ylamino)ethyl]acetamide (CID 103980758) is N-[2-(azepan-4-ylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(azepan-4-ylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(azepan-4-ylamino)ethyl]acetamide is CC(=O)NCCNC1CCCNCC1.
What is the InChIKey of N-[2-(azepan-4-ylamino)ethyl]acetamide?
The InChIKey is ISHFQIJQVIWZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-9(14)12-7-8-13-10-3-2-5-11-6-4-10/h10-11,13H,2-8H2,1H3,(H,12,14).
What are the key properties of N-[2-(azepan-4-ylamino)ethyl]acetamide?
N-[2-(azepan-4-ylamino)ethyl]acetamide has a molecular weight of 199.30 g/mol, XLogP of -0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-4-ylamino)ethyl]acetamide is sourced from PubChem (CID 103980758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).