3-(aminomethyl)-N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide

C11H23N3O — CID 82508766

IUPAC3-(aminomethyl)-N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)CNC(=O)N1CCC(CN)C1
InChIInChI=1S/C11H23N3O/c1-11(2,3)8-13-10(15)14-5-4-9(6-12)7-14/h9H,4-8,12H2,1-3H3,(H,13,15)
InChIKeyGFRUOHCCVWNCMR-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.02
Rot. Bonds2

About 3-(aminomethyl)-N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide

3-(aminomethyl)-N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide (PubChem CID 82508766) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide
PubChem CID82508766
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-(aminomethyl)-N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)CNC(=O)N1CCC(CN)C1
InChIInChI=1S/C11H23N3O/c1-11(2,3)8-13-10(15)14-5-4-9(6-12)7-14/h9H,4-8,12H2,1-3H3,(H,13,15)
InChIKeyGFRUOHCCVWNCMR-UHFFFAOYSA-N
XLogP1.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451548
1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 71751710
4-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 62061706
3-(aminomethyl)-N-ethylazepane-1-carboxamide
CID 126983283
(2S)-2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 62062405
5-[3-(aminomethyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 62934768
N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide
CID 110754954
3-(aminomethyl)pyrrolidine-1-carboxylic acid
CID 18470958
1-[3-(aminomethyl)pyrrolidin-1-yl]-2,3,3-trimethylbutan-1-one
CID 119484473
3-(aminomethyl)-N-cyclohexylpyrrolidine-1-carboxamide
CID 62061626
2-amino-1-[3-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 131134494
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443815

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide (CID 82508766) is 3-(aminomethyl)-N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide is CC(C)(C)CNC(=O)N1CCC(CN)C1.
What is the InChIKey of 3-(aminomethyl)-N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is GFRUOHCCVWNCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-11(2,3)8-13-10(15)14-5-4-9(6-12)7-14/h9H,4-8,12H2,1-3H3,(H,13,15).
What are the key properties of 3-(aminomethyl)-N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide?
3-(aminomethyl)-N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 82508766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).