N-tert-butyl-3-propan-2-ylpyrrolidine-1-carboxamide

C12H24N2O — CID 115695172

IUPACN-tert-butyl-3-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)C1CCN(C(=O)NC(C)(C)C)C1
InChIInChI=1S/C12H24N2O/c1-9(2)10-6-7-14(8-10)11(15)13-12(3,4)5/h9-10H,6-8H2,1-5H3,(H,13,15)
InChIKeyKQWJUBRICWROBD-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.47
Rot. Bonds1

About N-tert-butyl-3-propan-2-ylpyrrolidine-1-carboxamide

N-tert-butyl-3-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 115695172) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-tert-butyl-3-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID115695172
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-tert-butyl-3-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)C1CCN(C(=O)NC(C)(C)C)C1
InChIInChI=1S/C12H24N2O/c1-9(2)10-6-7-14(8-10)11(15)13-12(3,4)5/h9-10H,6-8H2,1-5H3,(H,13,15)
InChIKeyKQWJUBRICWROBD-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-aminoethyl)-N-tert-butylpiperidine-1-carboxamide
CID 63596385
N,3-di(propan-2-yl)pyrrolidine-1-carboxamide;molecular hydrogen
CID 169182520
N-tert-butyl-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 115695099
1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone
CID 90251705
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
ethyl 2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]acetate
CID 112697824
2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 90077533
2,2-dimethyl-3-oxo-3-(3-propan-2-ylpyrrolidin-1-yl)propanenitrile
CID 112697882
N-tert-butyl-3-piperidin-1-ylpyrrolidine-1-carboxamide
CID 115695110
2-amino-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115734771
N-tert-butyl-3-(methylamino)piperidine-1-carboxamide
CID 62536561
N-tert-butyl-4-(ethylamino)piperidine-1-carboxamide
CID 60819470

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-tert-butyl-3-propan-2-ylpyrrolidine-1-carboxamide (CID 115695172) is N-tert-butyl-3-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-3-propan-2-ylpyrrolidine-1-carboxamide is CC(C)C1CCN(C(=O)NC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-3-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is KQWJUBRICWROBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)10-6-7-14(8-10)11(15)13-12(3,4)5/h9-10H,6-8H2,1-5H3,(H,13,15).
What are the key properties of N-tert-butyl-3-propan-2-ylpyrrolidine-1-carboxamide?
N-tert-butyl-3-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 115695172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).