2-[1-(aminomethyl)cyclohexyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide

C14H25N3O2 — CID 104844467

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
SMILESCN1CCC(NC(=O)CC2(CN)CCCCC2)C1=O
InChIInChI=1S/C14H25N3O2/c1-17-8-5-11(13(17)19)16-12(18)9-14(10-15)6-3-2-4-7-14/h11H,2-10,15H2,1H3,(H,16,18)
InChIKeyLOGQHUZUGUMTSG-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.63
Rot. Bonds4

About 2-[1-(aminomethyl)cyclohexyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide

2-[1-(aminomethyl)cyclohexyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide (PubChem CID 104844467) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
PubChem CID104844467
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
SMILESCN1CCC(NC(=O)CC2(CN)CCCCC2)C1=O
InChIInChI=1S/C14H25N3O2/c1-17-8-5-11(13(17)19)16-12(18)9-14(10-15)6-3-2-4-7-14/h11H,2-10,15H2,1H3,(H,16,18)
InChIKeyLOGQHUZUGUMTSG-UHFFFAOYSA-N
XLogP0.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-cyclohexyl-1-(pyrrolidin-1-yl)ethan-1-one
CID 23646031
1-methyl-N-[(3S)-2-oxoazepan-3-yl]cyclohexane-1-carboxamide
CID 11651747
(2S)-2-[[(2S)-2-[(3R)-3-(3-cyclohexylpropylamino)-2-oxopyrrolidin-1-yl]pentanoyl]amino]-4-methylpentanamide
CID 44306586
(2S)-2-[[(2S)-2-[(3R)-3-(3-cyclohexylpropylamino)-2-oxo-3-propylpyrrolidin-1-yl]pentanoyl]amino]-4-methylpentanamide
CID 44307165
N-((1S,4r)-4-((2S,3S)-3-amino-4-((S)-3-fluoropyrrolidin-1-yl)-4-oxobutan-2-yl)cyclohexyl)acetamide
CID 44433617
(2S)-N-(cyclohexylmethyl)-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 49864916
(2S)-2-(4-methyl-2-oxo-4-propylpyrrolidin-1-yl)butanamide
CID 9813318
2-(4-Butyl-2-oxopyrrolidin-1-yl)butanamide
CID 9855989
2-(2-Oxo-4-pentylpyrrolidin-1-yl)butanamide
CID 9856179
(2S)-2-[4-(2,2-dimethylpropyl)-2-oxopyrrolidin-1-yl]butanamide
CID 9942834
Proline scaffold, 9
CID 42618107
Proline scaffold, 10
CID 42618108

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide (CID 104844467) is 2-[1-(aminomethyl)cyclohexyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide is CN1CCC(NC(=O)CC2(CN)CCCCC2)C1=O.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide?
The InChIKey is LOGQHUZUGUMTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-17-8-5-11(13(17)19)16-12(18)9-14(10-15)6-3-2-4-7-14/h11H,2-10,15H2,1H3,(H,16,18).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide has a molecular weight of 267.37 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide is sourced from PubChem (CID 104844467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).