3-(6-methylheptan-2-ylamino)-1-propan-2-ylpyrrolidine-2,5-dione

C15H28N2O2 — CID 61469351

IUPAC3-(6-methylheptan-2-ylamino)-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)CCCC(C)NC1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C15H28N2O2/c1-10(2)7-6-8-12(5)16-13-9-14(18)17(11(3)4)15(13)19/h10-13,16H,6-9H2,1-5H3
InChIKeyLQJDHMNQYHWVQO-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.33
Rot. Bonds7

About 3-(6-methylheptan-2-ylamino)-1-propan-2-ylpyrrolidine-2,5-dione

3-(6-methylheptan-2-ylamino)-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 61469351) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-(6-methylheptan-2-ylamino)-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(6-methylheptan-2-ylamino)-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID61469351
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-(6-methylheptan-2-ylamino)-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)CCCC(C)NC1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C15H28N2O2/c1-10(2)7-6-8-12(5)16-13-9-14(18)17(11(3)4)15(13)19/h10-13,16H,6-9H2,1-5H3
InChIKeyLQJDHMNQYHWVQO-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methylheptan-2-ylamino)-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-(6-methylheptan-2-ylamino)-1-propan-2-ylpyrrolidine-2,5-dione (CID 61469351) is 3-(6-methylheptan-2-ylamino)-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(6-methylheptan-2-ylamino)-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(6-methylheptan-2-ylamino)-1-propan-2-ylpyrrolidine-2,5-dione is CC(C)CCCC(C)NC1CC(=O)N(C(C)C)C1=O.
What is the InChIKey of 3-(6-methylheptan-2-ylamino)-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is LQJDHMNQYHWVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-10(2)7-6-8-12(5)16-13-9-14(18)17(11(3)4)15(13)19/h10-13,16H,6-9H2,1-5H3.
What are the key properties of 3-(6-methylheptan-2-ylamino)-1-propan-2-ylpyrrolidine-2,5-dione?
3-(6-methylheptan-2-ylamino)-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 268.40 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylheptan-2-ylamino)-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 61469351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).