1-(3-aminopropyl)azepane-2,7-dione

C9H16N2O2 — CID 43447536

IUPAC1-(3-aminopropyl)azepane-2,7-dione
SMILESNCCCN1C(=O)CCCCC1=O
InChIInChI=1S/C9H16N2O2/c10-6-3-7-11-8(12)4-1-2-5-9(11)13/h1-7,10H2
InChIKeyQWKXLEKBRPLZNY-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.26
Rot. Bonds3

About 1-(3-aminopropyl)azepane-2,7-dione

1-(3-aminopropyl)azepane-2,7-dione (PubChem CID 43447536) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(3-aminopropyl)azepane-2,7-dione.

Molecular Properties

Compound Name1-(3-aminopropyl)azepane-2,7-dione
PubChem CID43447536
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-(3-aminopropyl)azepane-2,7-dione
SMILESNCCCN1C(=O)CCCCC1=O
InChIInChI=1S/C9H16N2O2/c10-6-3-7-11-8(12)4-1-2-5-9(11)13/h1-7,10H2
InChIKeyQWKXLEKBRPLZNY-UHFFFAOYSA-N
XLogP0.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminobutyl)piperidine-2,6-dione
CID 43447549
1-(4-iodobutyl)azepane-2,7-dione
CID 139913177
1-(3-aminopropyl)-4-methylpiperidine-2,6-dione
CID 62932770
1-[3-(dimethylamino)propyl]-azacyclononadecane-2,19-dione
CID 142676515
1-[[1-(2-aminoethyl)cyclopropyl]methyl]azepane-2,7-dione
CID 65481929
2-(3-aminopropyl)oxazinan-3-one
CID 105430957
1-undecylpiperidine-2,6-dione
CID 91705281
8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione
CID 11746691
3-(4-aminobutyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 62642476
1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride
CID 56604167
1-(3-azidopropyl)piperidine-2,6-dione
CID 61396596
1-(2-bromoethyl)piperidine-2,6-dione
CID 10943981

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)azepane-2,7-dione?
The IUPAC name of 1-(3-aminopropyl)azepane-2,7-dione (CID 43447536) is 1-(3-aminopropyl)azepane-2,7-dione.
What is the SMILES notation for 1-(3-aminopropyl)azepane-2,7-dione?
The canonical SMILES for 1-(3-aminopropyl)azepane-2,7-dione is NCCCN1C(=O)CCCCC1=O.
What is the InChIKey of 1-(3-aminopropyl)azepane-2,7-dione?
The InChIKey is QWKXLEKBRPLZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-6-3-7-11-8(12)4-1-2-5-9(11)13/h1-7,10H2.
What are the key properties of 1-(3-aminopropyl)azepane-2,7-dione?
1-(3-aminopropyl)azepane-2,7-dione has a molecular weight of 184.24 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)azepane-2,7-dione is sourced from PubChem (CID 43447536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).