N-tert-butyl-3-(dimethylamino)pyrrolidine-1-carboxamide

C11H23N3O — CID 115695099

IUPACN-tert-butyl-3-(dimethylamino)pyrrolidine-1-carboxamide
SMILESCN(C)C1CCN(C(=O)NC(C)(C)C)C1
InChIInChI=1S/C11H23N3O/c1-11(2,3)12-10(15)14-7-6-9(8-14)13(4)5/h9H,6-8H2,1-5H3,(H,12,15)
InChIKeyZCRBUZFAEIGTIT-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.13
Rot. Bonds1

About N-tert-butyl-3-(dimethylamino)pyrrolidine-1-carboxamide

N-tert-butyl-3-(dimethylamino)pyrrolidine-1-carboxamide (PubChem CID 115695099) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N-tert-butyl-3-(dimethylamino)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-(dimethylamino)pyrrolidine-1-carboxamide
PubChem CID115695099
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN-tert-butyl-3-(dimethylamino)pyrrolidine-1-carboxamide
SMILESCN(C)C1CCN(C(=O)NC(C)(C)C)C1
InChIInChI=1S/C11H23N3O/c1-11(2,3)12-10(15)14-7-6-9(8-14)13(4)5/h9H,6-8H2,1-5H3,(H,12,15)
InChIKeyZCRBUZFAEIGTIT-UHFFFAOYSA-N
XLogP1.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 63549164
2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 114328660
3-(dimethylamino)pyrrolidine-1-carbonyl chloride
CID 79886816
2-(tert-butylamino)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 78925625
N-cyclopentyl-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 115610399
N-tert-butyl-3-propan-2-ylpyrrolidine-1-carboxamide
CID 115695172
N-tert-butyl-3-piperidin-1-ylpyrrolidine-1-carboxamide
CID 115695110
N-tert-butyl-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide
CID 121197654
N-tert-butyl-3-(methylamino)piperidine-1-carboxamide
CID 62536561
4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-2-methylbutanoic acid
CID 80541126
(4-tert-butylphenyl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 121450401
3-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
CID 76986953

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(dimethylamino)pyrrolidine-1-carboxamide?
The IUPAC name of N-tert-butyl-3-(dimethylamino)pyrrolidine-1-carboxamide (CID 115695099) is N-tert-butyl-3-(dimethylamino)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3-(dimethylamino)pyrrolidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-3-(dimethylamino)pyrrolidine-1-carboxamide is CN(C)C1CCN(C(=O)NC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-3-(dimethylamino)pyrrolidine-1-carboxamide?
The InChIKey is ZCRBUZFAEIGTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-11(2,3)12-10(15)14-7-6-9(8-14)13(4)5/h9H,6-8H2,1-5H3,(H,12,15).
What are the key properties of N-tert-butyl-3-(dimethylamino)pyrrolidine-1-carboxamide?
N-tert-butyl-3-(dimethylamino)pyrrolidine-1-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(dimethylamino)pyrrolidine-1-carboxamide is sourced from PubChem (CID 115695099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).