1-[2-(ethylamino)-3-methylpentyl]-4-propan-2-ylpyrrolidin-2-one

C15H30N2O — CID 113421062

IUPAC1-[2-(ethylamino)-3-methylpentyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCCNC(CN1CC(C(C)C)CC1=O)C(C)CC
InChIInChI=1S/C15H30N2O/c1-6-12(5)14(16-7-2)10-17-9-13(11(3)4)8-15(17)18/h11-14,16H,6-10H2,1-5H3
InChIKeyVHMTYFGAVMRERG-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.52
Rot. Bonds7

About 1-[2-(ethylamino)-3-methylpentyl]-4-propan-2-ylpyrrolidin-2-one

1-[2-(ethylamino)-3-methylpentyl]-4-propan-2-ylpyrrolidin-2-one (PubChem CID 113421062) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[2-(ethylamino)-3-methylpentyl]-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(ethylamino)-3-methylpentyl]-4-propan-2-ylpyrrolidin-2-one
PubChem CID113421062
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-[2-(ethylamino)-3-methylpentyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCCNC(CN1CC(C(C)C)CC1=O)C(C)CC
InChIInChI=1S/C15H30N2O/c1-6-12(5)14(16-7-2)10-17-9-13(11(3)4)8-15(17)18/h11-14,16H,6-10H2,1-5H3
InChIKeyVHMTYFGAVMRERG-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-3-methylpentyl]-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-[2-(ethylamino)-3-methylpentyl]-4-propan-2-ylpyrrolidin-2-one (CID 113421062) is 1-[2-(ethylamino)-3-methylpentyl]-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-(ethylamino)-3-methylpentyl]-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-[2-(ethylamino)-3-methylpentyl]-4-propan-2-ylpyrrolidin-2-one is CCNC(CN1CC(C(C)C)CC1=O)C(C)CC.
What is the InChIKey of 1-[2-(ethylamino)-3-methylpentyl]-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is VHMTYFGAVMRERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-6-12(5)14(16-7-2)10-17-9-13(11(3)4)8-15(17)18/h11-14,16H,6-10H2,1-5H3.
What are the key properties of 1-[2-(ethylamino)-3-methylpentyl]-4-propan-2-ylpyrrolidin-2-one?
1-[2-(ethylamino)-3-methylpentyl]-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 254.42 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-3-methylpentyl]-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 113421062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).