4-[(4-tert-butylcyclohexyl)methylamino]pyrrolidin-2-one

C15H28N2O — CID 104665410

IUPAC4-[(4-tert-butylcyclohexyl)methylamino]pyrrolidin-2-one
SMILESCC(C)(C)C1CCC(CNC2CNC(=O)C2)CC1
InChIInChI=1S/C15H28N2O/c1-15(2,3)12-6-4-11(5-7-12)9-16-13-8-14(18)17-10-13/h11-13,16H,4-10H2,1-3H3,(H,17,18)
InChIKeyAHJMCVUPTGGVIT-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.32
Rot. Bonds3

About 4-[(4-tert-butylcyclohexyl)methylamino]pyrrolidin-2-one

4-[(4-tert-butylcyclohexyl)methylamino]pyrrolidin-2-one (PubChem CID 104665410) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 4-[(4-tert-butylcyclohexyl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(4-tert-butylcyclohexyl)methylamino]pyrrolidin-2-one
PubChem CID104665410
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name4-[(4-tert-butylcyclohexyl)methylamino]pyrrolidin-2-one
SMILESCC(C)(C)C1CCC(CNC2CNC(=O)C2)CC1
InChIInChI=1S/C15H28N2O/c1-15(2,3)12-6-4-11(5-7-12)9-16-13-8-14(18)17-10-13/h11-13,16H,4-10H2,1-3H3,(H,17,18)
InChIKeyAHJMCVUPTGGVIT-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1-methylpiperidin-4-yl)methylamino]pyrrolidin-2-one
CID 106184277
4-(2-cyclopropylethylamino)pyrrolidin-2-one
CID 106189081
5-(cyclopentylmethylamino)piperidin-2-one
CID 63661692
N-[(4-tert-butylcyclohexyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 107849959
4-(cyclopentylmethylamino)azepan-2-one
CID 63905028
4-[2-(tert-butylamino)ethylamino]pyrrolidin-2-one
CID 106182603
5-[(1-methylpiperidin-4-yl)methylamino]piperidin-2-one
CID 63662590
(4R)-4-(2-methylpropylamino)pyrrolidin-2-one
CID 139457725
2,2-dimethyl-3-[(5-oxopyrrolidin-3-yl)amino]propanoic acid
CID 106189408
4-(prop-2-ynylamino)pyrrolidin-2-one
CID 106184297
4-[(4-propylcycloheptyl)amino]pyrrolidin-2-one
CID 114155313
4-tert-butyl-N-(thian-4-ylmethyl)cyclohexan-1-amine
CID 115653911

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylcyclohexyl)methylamino]pyrrolidin-2-one?
The IUPAC name of 4-[(4-tert-butylcyclohexyl)methylamino]pyrrolidin-2-one (CID 104665410) is 4-[(4-tert-butylcyclohexyl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(4-tert-butylcyclohexyl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[(4-tert-butylcyclohexyl)methylamino]pyrrolidin-2-one is CC(C)(C)C1CCC(CNC2CNC(=O)C2)CC1.
What is the InChIKey of 4-[(4-tert-butylcyclohexyl)methylamino]pyrrolidin-2-one?
The InChIKey is AHJMCVUPTGGVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(2,3)12-6-4-11(5-7-12)9-16-13-8-14(18)17-10-13/h11-13,16H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 4-[(4-tert-butylcyclohexyl)methylamino]pyrrolidin-2-one?
4-[(4-tert-butylcyclohexyl)methylamino]pyrrolidin-2-one has a molecular weight of 252.40 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylcyclohexyl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 104665410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).