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

C15H30N2O — CID 106800567

IUPAC1-[4-(ethylamino)hexyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCCNC(CC)CCCN1CC(C(C)C)CC1=O
InChIInChI=1S/C15H30N2O/c1-5-14(16-6-2)8-7-9-17-11-13(12(3)4)10-15(17)18/h12-14,16H,5-11H2,1-4H3
InChIKeyCWOZKNWRHRYFKH-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.66
Rot. Bonds8

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

1-[4-(ethylamino)hexyl]-4-propan-2-ylpyrrolidin-2-one (PubChem CID 106800567) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[4-(ethylamino)hexyl]-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(ethylamino)hexyl]-4-propan-2-ylpyrrolidin-2-one
PubChem CID106800567
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-[4-(ethylamino)hexyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCCNC(CC)CCCN1CC(C(C)C)CC1=O
InChIInChI=1S/C15H30N2O/c1-5-14(16-6-2)8-7-9-17-11-13(12(3)4)10-15(17)18/h12-14,16H,5-11H2,1-4H3
InChIKeyCWOZKNWRHRYFKH-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Brivaracetam
CID 9837243
Pyrrolidine, 1-[(2S,3R)-2-amino-3-methyl-1-oxopentyl]-
CID 9794073
(2S,3S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)pentan-1-one
CID 9796352
rac-Brivaracetam
CID 9834332
(5S)-5-(propan-2-yl)pyrrolidin-2-one
CID 13082303
4-(2-Methylpropyl)pyrrolidin-2-one
CID 16101323
Pregabalin lactam
CID 16101324
Brivaracetam, (I+-S,4S)-
CID 9855859
2-Amino-3-methyl-1-pyrrolidin-1-yl-pentan-1-one
CID 10130255
3-Ethyl-3-isopropylpyrrolidin-2-one
CID 10606999
Valeramide, N-isopropyl-2-propyl-
CID 200920
5-(Propan-2-yl)pyrrolidin-2-one
CID 13082302

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)hexyl]-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-[4-(ethylamino)hexyl]-4-propan-2-ylpyrrolidin-2-one (CID 106800567) is 1-[4-(ethylamino)hexyl]-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-[4-(ethylamino)hexyl]-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-[4-(ethylamino)hexyl]-4-propan-2-ylpyrrolidin-2-one is CCNC(CC)CCCN1CC(C(C)C)CC1=O.
What is the InChIKey of 1-[4-(ethylamino)hexyl]-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is CWOZKNWRHRYFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-14(16-6-2)8-7-9-17-11-13(12(3)4)10-15(17)18/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 1-[4-(ethylamino)hexyl]-4-propan-2-ylpyrrolidin-2-one?
1-[4-(ethylamino)hexyl]-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 254.42 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)hexyl]-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 106800567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).