1-[[(1-benzyl-5,5-dimethylpyrrolidin-3-yl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

C22H35N3O — CID 75393021

IUPAC1-[[(1-benzyl-5,5-dimethylpyrrolidin-3-yl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCN(C)C(=O)C1(CNC2CN(Cc3ccccc3)C(C)(C)C2)CCCC1
InChIInChI=1S/C22H35N3O/c1-21(2)14-19(16-25(21)15-18-10-6-5-7-11-18)23-17-22(12-8-9-13-22)20(26)24(3)4/h5-7,10-11,19,23H,8-9,12-17H2,1-4H3
InChIKeyPEHAMEUWZOJQAR-UHFFFAOYSA-N
MW357.54 g/mol
LogP3.28
Rot. Bonds6

About 1-[[(1-benzyl-5,5-dimethylpyrrolidin-3-yl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

1-[[(1-benzyl-5,5-dimethylpyrrolidin-3-yl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (PubChem CID 75393021) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is 1-[[(1-benzyl-5,5-dimethylpyrrolidin-3-yl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[(1-benzyl-5,5-dimethylpyrrolidin-3-yl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
PubChem CID75393021
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name1-[[(1-benzyl-5,5-dimethylpyrrolidin-3-yl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCN(C)C(=O)C1(CNC2CN(Cc3ccccc3)C(C)(C)C2)CCCC1
InChIInChI=1S/C22H35N3O/c1-21(2)14-19(16-25(21)15-18-10-6-5-7-11-18)23-17-22(12-8-9-13-22)20(26)24(3)4/h5-7,10-11,19,23H,8-9,12-17H2,1-4H3
InChIKeyPEHAMEUWZOJQAR-UHFFFAOYSA-N
XLogP3.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[(1-benzyl-5,5-dimethylpyrrolidin-3-yl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide with MolForge

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Related Compounds

(2R)-1-[[(3R)-1-benzyl-5,5-dimethylpyrrolidin-3-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 97102243
N-(3H-benzimidazol-5-ylmethyl)-1-benzyl-5,5-dimethylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 166307311
1-benzyl-N,2,2-trimethylpiperidin-4-amine
CID 117020178
(3R)-1-benzyl-5,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidin-3-amine
CID 97090440
1-[[[[(1-benzylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111571054
N-[4-[(1-benzyl-2-methylpyrrolidin-2-yl)methylamino]cyclohexyl]acetamide
CID 119034343
3-benzyl-N,N-dimethylpiperidine-3-carboxamide
CID 86184563
N-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)-3-(2-oxo-1H-imidazol-3-yl)benzamide
CID 166363719
1-[[[N'-benzyl-N-[2-(dimethylamino)-2-oxoethyl]carbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111571058
N,N-dimethyl-1-[[[N'-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 111570010
2-benzyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide
CID 86809326
(1-benzyl-5,5-dimethylpyrrolidin-3-yl)-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methanone
CID 166313307

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-benzyl-5,5-dimethylpyrrolidin-3-yl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The IUPAC name of 1-[[(1-benzyl-5,5-dimethylpyrrolidin-3-yl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (CID 75393021) is 1-[[(1-benzyl-5,5-dimethylpyrrolidin-3-yl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[(1-benzyl-5,5-dimethylpyrrolidin-3-yl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for 1-[[(1-benzyl-5,5-dimethylpyrrolidin-3-yl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is CN(C)C(=O)C1(CNC2CN(Cc3ccccc3)C(C)(C)C2)CCCC1.
What is the InChIKey of 1-[[(1-benzyl-5,5-dimethylpyrrolidin-3-yl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The InChIKey is PEHAMEUWZOJQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-21(2)14-19(16-25(21)15-18-10-6-5-7-11-18)23-17-22(12-8-9-13-22)20(26)24(3)4/h5-7,10-11,19,23H,8-9,12-17H2,1-4H3.
What are the key properties of 1-[[(1-benzyl-5,5-dimethylpyrrolidin-3-yl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
1-[[(1-benzyl-5,5-dimethylpyrrolidin-3-yl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide has a molecular weight of 357.54 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-benzyl-5,5-dimethylpyrrolidin-3-yl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 75393021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).