4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide

C15H27N3O2 — CID 79526812

IUPAC4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide
SMILESCC(CN1CCCC1=O)NC(=O)C1CCC(CN)CC1
InChIInChI=1S/C15H27N3O2/c1-11(10-18-8-2-3-14(18)19)17-15(20)13-6-4-12(9-16)5-7-13/h11-13H,2-10,16H2,1H3,(H,17,20)
InChIKeyXEPBZIDULFJQDT-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.88
Rot. Bonds5

About 4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide (PubChem CID 79526812) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide
PubChem CID79526812
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide
SMILESCC(CN1CCCC1=O)NC(=O)C1CCC(CN)CC1
InChIInChI=1S/C15H27N3O2/c1-11(10-18-8-2-3-14(18)19)17-15(20)13-6-4-12(9-16)5-7-13/h11-13H,2-10,16H2,1H3,(H,17,20)
InChIKeyXEPBZIDULFJQDT-UHFFFAOYSA-N
XLogP0.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119740521
3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119740525
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
CID 54863360
2-(4-aminopiperidin-1-yl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]acetamide
CID 79328385
(2R)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]piperidine-2-carboxamide
CID 113266351
3-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
CID 102778392
4-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopent-2-ene-1-carboxamide
CID 79210711
1-cyclobutyl-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
CID 136524316
2-(cyclopropylamino)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]acetamide
CID 54863219
2-amino-N-[2-oxo-2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]acetamide
CID 54863279
2-amino-3-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pentanamide;hydrochloride
CID 119740547
4-(aminomethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 79511671

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide (CID 79526812) is 4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide is CC(CN1CCCC1=O)NC(=O)C1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is XEPBZIDULFJQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11(10-18-8-2-3-14(18)19)17-15(20)13-6-4-12(9-16)5-7-13/h11-13H,2-10,16H2,1H3,(H,17,20).
What are the key properties of 4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 79526812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).