1-[3,3-dimethyl-2-(propylamino)butyl]-4-propan-2-ylpyrrolidin-2-one

C16H32N2O — CID 104511443

IUPAC1-[3,3-dimethyl-2-(propylamino)butyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCCCNC(CN1CC(C(C)C)CC1=O)C(C)(C)C
InChIInChI=1S/C16H32N2O/c1-7-8-17-14(16(4,5)6)11-18-10-13(12(2)3)9-15(18)19/h12-14,17H,7-11H2,1-6H3
InChIKeyGEKTZSFDGMUBCS-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.91
Rot. Bonds6

About 1-[3,3-dimethyl-2-(propylamino)butyl]-4-propan-2-ylpyrrolidin-2-one

1-[3,3-dimethyl-2-(propylamino)butyl]-4-propan-2-ylpyrrolidin-2-one (PubChem CID 104511443) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[3,3-dimethyl-2-(propylamino)butyl]-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[3,3-dimethyl-2-(propylamino)butyl]-4-propan-2-ylpyrrolidin-2-one
PubChem CID104511443
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-[3,3-dimethyl-2-(propylamino)butyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCCCNC(CN1CC(C(C)C)CC1=O)C(C)(C)C
InChIInChI=1S/C16H32N2O/c1-7-8-17-14(16(4,5)6)11-18-10-13(12(2)3)9-15(18)19/h12-14,17H,7-11H2,1-6H3
InChIKeyGEKTZSFDGMUBCS-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(ethylamino)propyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511458
1-ethyl-4-propan-2-ylpyrrolidin-2-one
CID 122470396
1-[2-(ethylamino)-3-methylpentyl]-4-propan-2-ylpyrrolidin-2-one
CID 113421062
1-[2-(bromomethyl)pentyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511279
2,2-dimethyl-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid
CID 104511188
1-(2-amino-3-methoxy-3-methylbutyl)-4-propan-2-ylpyrrolidin-2-one
CID 114228631
1-(3-bromo-2,2-dimethylpropyl)-4-propan-2-ylpyrrolidin-2-one
CID 104511296
1-(3-chloro-2-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
CID 104511295
1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104748173
1-[4-(ethylamino)hexyl]-4-propan-2-ylpyrrolidin-2-one
CID 106800567
1-[2-cyclopropyl-2-(propylamino)ethyl]-4-methylpyrrolidin-2-one
CID 63913764
2-acetamido-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid
CID 104511158

Frequently Asked Questions

What is the IUPAC name of 1-[3,3-dimethyl-2-(propylamino)butyl]-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-[3,3-dimethyl-2-(propylamino)butyl]-4-propan-2-ylpyrrolidin-2-one (CID 104511443) is 1-[3,3-dimethyl-2-(propylamino)butyl]-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-[3,3-dimethyl-2-(propylamino)butyl]-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-[3,3-dimethyl-2-(propylamino)butyl]-4-propan-2-ylpyrrolidin-2-one is CCCNC(CN1CC(C(C)C)CC1=O)C(C)(C)C.
What is the InChIKey of 1-[3,3-dimethyl-2-(propylamino)butyl]-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is GEKTZSFDGMUBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-7-8-17-14(16(4,5)6)11-18-10-13(12(2)3)9-15(18)19/h12-14,17H,7-11H2,1-6H3.
What are the key properties of 1-[3,3-dimethyl-2-(propylamino)butyl]-4-propan-2-ylpyrrolidin-2-one?
1-[3,3-dimethyl-2-(propylamino)butyl]-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 268.44 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-dimethyl-2-(propylamino)butyl]-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 104511443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).