1-[2-[(4-tert-butylcyclohexyl)amino]propyl]pyrrolidin-2-one

C17H32N2O — CID 60935140

IUPAC1-[2-[(4-tert-butylcyclohexyl)amino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H32N2O/c1-13(12-19-11-5-6-16(19)20)18-15-9-7-14(8-10-15)17(2,3)4/h13-15,18H,5-12H2,1-4H3
InChIKeyAJBITVJLKUDSOV-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.19
Rot. Bonds4

About 1-[2-[(4-tert-butylcyclohexyl)amino]propyl]pyrrolidin-2-one

1-[2-[(4-tert-butylcyclohexyl)amino]propyl]pyrrolidin-2-one (PubChem CID 60935140) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-[2-[(4-tert-butylcyclohexyl)amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(4-tert-butylcyclohexyl)amino]propyl]pyrrolidin-2-one
PubChem CID60935140
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-[2-[(4-tert-butylcyclohexyl)amino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H32N2O/c1-13(12-19-11-5-6-16(19)20)18-15-9-7-14(8-10-15)17(2,3)4/h13-15,18H,5-12H2,1-4H3
InChIKeyAJBITVJLKUDSOV-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(4-methylcyclohexyl)amino]propyl]pyrrolidin-2-one
CID 54865939
1-[2-[(1,1-dioxothian-4-yl)amino]propyl]pyrrolidin-2-one
CID 54865825
1-[2-[(1-oxothian-4-yl)amino]propyl]pyrrolidin-2-one
CID 54981585
1-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 103778451
1-[2-[(1-ethylpiperidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 54865964
4-tert-butyl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexan-1-amine
CID 61223216
1-[2-[(2-propan-2-ylcyclohexyl)amino]propyl]pyrrolidin-2-one
CID 81329280
2-(cyclopropylamino)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]acetamide
CID 54863219
1-[2-(1-cyclopropylpropylamino)propyl]pyrrolidin-2-one
CID 64918845
1-cyclobutyl-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
CID 136524316
5-tert-butyl-1-[2-cyclopentyl-2-(methylamino)ethyl]azepan-2-one
CID 104747795
1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one
CID 54865922

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-tert-butylcyclohexyl)amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(4-tert-butylcyclohexyl)amino]propyl]pyrrolidin-2-one (CID 60935140) is 1-[2-[(4-tert-butylcyclohexyl)amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(4-tert-butylcyclohexyl)amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(4-tert-butylcyclohexyl)amino]propyl]pyrrolidin-2-one is CC(CN1CCCC1=O)NC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-[2-[(4-tert-butylcyclohexyl)amino]propyl]pyrrolidin-2-one?
The InChIKey is AJBITVJLKUDSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-13(12-19-11-5-6-16(19)20)18-15-9-7-14(8-10-15)17(2,3)4/h13-15,18H,5-12H2,1-4H3.
What are the key properties of 1-[2-[(4-tert-butylcyclohexyl)amino]propyl]pyrrolidin-2-one?
1-[2-[(4-tert-butylcyclohexyl)amino]propyl]pyrrolidin-2-one has a molecular weight of 280.46 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-tert-butylcyclohexyl)amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 60935140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).