1-(1-aminohexan-2-yl)-4-methylpiperidine-2,6-dione

C12H22N2O2 — CID 80704229

IUPAC1-(1-aminohexan-2-yl)-4-methylpiperidine-2,6-dione
SMILESCCCCC(CN)N1C(=O)CC(C)CC1=O
InChIInChI=1S/C12H22N2O2/c1-3-4-5-10(8-13)14-11(15)6-9(2)7-12(14)16/h9-10H,3-8,13H2,1-2H3
InChIKeyMHTZYYQUHMHVJZ-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.29
Rot. Bonds5

About 1-(1-aminohexan-2-yl)-4-methylpiperidine-2,6-dione

1-(1-aminohexan-2-yl)-4-methylpiperidine-2,6-dione (PubChem CID 80704229) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(1-aminohexan-2-yl)-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-(1-aminohexan-2-yl)-4-methylpiperidine-2,6-dione
PubChem CID80704229
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(1-aminohexan-2-yl)-4-methylpiperidine-2,6-dione
SMILESCCCCC(CN)N1C(=O)CC(C)CC1=O
InChIInChI=1S/C12H22N2O2/c1-3-4-5-10(8-13)14-11(15)6-9(2)7-12(14)16/h9-10H,3-8,13H2,1-2H3
InChIKeyMHTZYYQUHMHVJZ-UHFFFAOYSA-N
XLogP1.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.29
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

4-(1-aminopentan-2-yl)morpholine-3,5-dione
CID 65191991
2-(1-aminohexan-2-yl)isoindole-1,3-dione
CID 80703930
2-(3,4-dimethylpyrrolidin-1-yl)octan-1-amine
CID 79188205
2-(2-methyl-2,3-dihydroindol-1-yl)hexan-1-amine
CID 114993614
2-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoic acid
CID 61036684
4-hydroxy-1-octan-4-ylpyrrolidin-2-one
CID 106021146
1-(3-aminopropyl)-4-methylpiperidine-2,6-dione
CID 62932770
2-(1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-amine
CID 78969129
1-hexan-2-yl-4-sulfanylpyrrolidin-2-one
CID 168707704
1-(2-hydroxypentyl)-4-methylpiperidine-2,6-dione
CID 79506655
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)nonan-1-amine
CID 63466877
2-(4-methyl-2,6-dioxopiperidin-1-yl)pentanedioic acid
CID 62933790

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminohexan-2-yl)-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-(1-aminohexan-2-yl)-4-methylpiperidine-2,6-dione (CID 80704229) is 1-(1-aminohexan-2-yl)-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-(1-aminohexan-2-yl)-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-(1-aminohexan-2-yl)-4-methylpiperidine-2,6-dione is CCCCC(CN)N1C(=O)CC(C)CC1=O.
What is the InChIKey of 1-(1-aminohexan-2-yl)-4-methylpiperidine-2,6-dione?
The InChIKey is MHTZYYQUHMHVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-4-5-10(8-13)14-11(15)6-9(2)7-12(14)16/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 1-(1-aminohexan-2-yl)-4-methylpiperidine-2,6-dione?
1-(1-aminohexan-2-yl)-4-methylpiperidine-2,6-dione has a molecular weight of 226.32 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminohexan-2-yl)-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 80704229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).