2-amino-N-[3-cyano-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-4,4-dimethylpentanamide

C20H36N4O — CID 141050932

IUPAC2-amino-N-[3-cyano-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(N)C(=O)NC1(C#N)CCN(C2CCC(C)(C)CC2)C1
InChIInChI=1S/C20H36N4O/c1-18(2,3)12-16(22)17(25)23-20(13-21)10-11-24(14-20)15-6-8-19(4,5)9-7-15/h15-16H,6-12,14,22H2,1-5H3,(H,23,25)
InChIKeyOCWMWPZLKZUGLK-UHFFFAOYSA-N
MW348.54 g/mol
LogP2.80
Rot. Bonds4

About 2-amino-N-[3-cyano-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-4,4-dimethylpentanamide

2-amino-N-[3-cyano-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-4,4-dimethylpentanamide (PubChem CID 141050932) has the molecular formula C20H36N4O and a molecular weight of 348.54 g/mol. Its IUPAC name is 2-amino-N-[3-cyano-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-amino-N-[3-cyano-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-4,4-dimethylpentanamide
PubChem CID141050932
Molecular FormulaC20H36N4O
Molecular Weight348.54 g/mol
Exact Mass348.29
IUPAC Name2-amino-N-[3-cyano-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(N)C(=O)NC1(C#N)CCN(C2CCC(C)(C)CC2)C1
InChIInChI=1S/C20H36N4O/c1-18(2,3)12-16(22)17(25)23-20(13-21)10-11-24(14-20)15-6-8-19(4,5)9-7-15/h15-16H,6-12,14,22H2,1-5H3,(H,23,25)
InChIKeyOCWMWPZLKZUGLK-UHFFFAOYSA-N
XLogP2.80
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-cyano-1-(4-methylcyclohexyl)pyrrolidin-3-yl]-4,4-dimethyl-2-[(8-oxo-7,9-dihydropurin-6-yl)amino]pentanamide
CID 22260494
3-(tert-butylamino)-1-cyclohexylpyrrolidine-3-carbonitrile;methane
CID 158595715
2-amino-N-[3-cyano-1-(2-methyl-2-phenylpropyl)pyrrolidin-3-yl]-3-cyclohexylpropanamide
CID 69415760
2-[amino-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-N-(4-cyano-1-methylpiperidin-4-yl)-4,4-dimethylpentanamide;dihydrochloride
CID 69417766
(2R)-N-[3-cyano-1-(3,3-dimethylcyclohexyl)pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 59972940
N-[1-[[3-cyano-1-(4-methylcyclohexyl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 22260593
(2R)-N-(3-cyano-1-cyclohexylpyrrolidin-3-yl)-2-[(4-methylcyclohexyl)methyl]-4-morpholin-4-yl-4-oxobutanamide
CID 70078177
N-[1-[[4-cyano-1-(4-phenylcyclohexyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 22260603
3-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxoheptan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 140542470
2-[3-[(3-cyano-1-cyclohexylpyrrolidin-3-yl)amino]-3-oxopropyl]-5-iodobenzamide
CID 22063349
N-[3-cyano-1-(4-methylcyclohexyl)pyrrolidin-3-yl]-3-cyclohexyl-2-[(8-oxo-7,9-dihydropurin-6-yl)amino]propanamide
CID 22063220
ethyl 4-[(2-amino-3-cyclohexylpropanoyl)amino]-4-cyanopiperidine-1-carboxylate;hydrochloride
CID 69415923

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-cyano-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-4,4-dimethylpentanamide?
The IUPAC name of 2-amino-N-[3-cyano-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-4,4-dimethylpentanamide (CID 141050932) is 2-amino-N-[3-cyano-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-4,4-dimethylpentanamide.
What is the SMILES notation for 2-amino-N-[3-cyano-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-4,4-dimethylpentanamide?
The canonical SMILES for 2-amino-N-[3-cyano-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-4,4-dimethylpentanamide is CC(C)(C)CC(N)C(=O)NC1(C#N)CCN(C2CCC(C)(C)CC2)C1.
What is the InChIKey of 2-amino-N-[3-cyano-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-4,4-dimethylpentanamide?
The InChIKey is OCWMWPZLKZUGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O/c1-18(2,3)12-16(22)17(25)23-20(13-21)10-11-24(14-20)15-6-8-19(4,5)9-7-15/h15-16H,6-12,14,22H2,1-5H3,(H,23,25).
What are the key properties of 2-amino-N-[3-cyano-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-4,4-dimethylpentanamide?
2-amino-N-[3-cyano-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-4,4-dimethylpentanamide has a molecular weight of 348.54 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-cyano-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-4,4-dimethylpentanamide is sourced from PubChem (CID 141050932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).