1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-2-one

C15H28N2O — CID 43329379

IUPAC1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-2-one
SMILESCC(C)(C)C1CCC(CN)C(N2CCCC2=O)C1
InChIInChI=1S/C15H28N2O/c1-15(2,3)12-7-6-11(10-16)13(9-12)17-8-4-5-14(17)18/h11-13H,4-10,16H2,1-3H3
InChIKeyZOFWNITVQBAUAO-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.40
Rot. Bonds2

About 1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-2-one

1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-2-one (PubChem CID 43329379) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-2-one
PubChem CID43329379
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-2-one
SMILESCC(C)(C)C1CCC(CN)C(N2CCCC2=O)C1
InChIInChI=1S/C15H28N2O/c1-15(2,3)12-7-6-11(10-16)13(9-12)17-8-4-5-14(17)18/h11-13H,4-10,16H2,1-3H3
InChIKeyZOFWNITVQBAUAO-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)-5-tert-butylcyclohexyl]azepane-2,7-dione
CID 43519473
(4-tert-butyl-2-piperidin-1-ylcyclohexyl)methanamine
CID 43293404
1-[2-(aminomethyl)-5-tert-butylcyclohexyl]-1,4-diazepan-5-one
CID 63003557
1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-3-ol
CID 62941504
[4-tert-butyl-2-(2,3-dimethylpiperidin-1-yl)cyclohexyl]methanamine
CID 63404551
4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3,3-dimethylpiperazin-2-one
CID 63597012
(9aS)-8-tert-butyl-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepin-5-one
CID 135039748
1-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3-methylpiperidin-4-ol
CID 114678018
4-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-1-methylpiperazin-2-one
CID 64682167
[4-tert-butyl-2-(2,4-dimethylpiperidin-1-yl)cyclohexyl]methanamine
CID 63403927
(9R,9aR)-9-amino-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 162397801
[4-tert-butyl-2-(4,5-dimethylimidazol-1-yl)cyclohexyl]methanamine
CID 62351078

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-2-one (CID 43329379) is 1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-2-one is CC(C)(C)C1CCC(CN)C(N2CCCC2=O)C1.
What is the InChIKey of 1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-2-one?
The InChIKey is ZOFWNITVQBAUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(2,3)12-7-6-11(10-16)13(9-12)17-8-4-5-14(17)18/h11-13H,4-10,16H2,1-3H3.
What are the key properties of 1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-2-one?
1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-2-one has a molecular weight of 252.40 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-2-one is sourced from PubChem (CID 43329379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).