N-[(1-tert-butylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide

C15H30N2O — CID 58408814

IUPACN-[(1-tert-butylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide
SMILESCN(CC1CCCN1C(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C15H30N2O/c1-14(2,3)13(18)16(7)11-12-9-8-10-17(12)15(4,5)6/h12H,8-11H2,1-7H3
InChIKeyHBRPKEWSELKKTP-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.75
Rot. Bonds2

About N-[(1-tert-butylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide

N-[(1-tert-butylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide (PubChem CID 58408814) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[(1-tert-butylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[(1-tert-butylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide
PubChem CID58408814
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[(1-tert-butylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide
SMILESCN(CC1CCCN1C(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C15H30N2O/c1-14(2,3)13(18)16(7)11-12-9-8-10-17(12)15(4,5)6/h12H,8-11H2,1-7H3
InChIKeyHBRPKEWSELKKTP-UHFFFAOYSA-N
XLogP2.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[(1-tert-butylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide (CID 58408814) is N-[(1-tert-butylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[(1-tert-butylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[(1-tert-butylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide is CN(CC1CCCN1C(C)(C)C)C(=O)C(C)(C)C.
What is the InChIKey of N-[(1-tert-butylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide?
The InChIKey is HBRPKEWSELKKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-14(2,3)13(18)16(7)11-12-9-8-10-17(12)15(4,5)6/h12H,8-11H2,1-7H3.
What are the key properties of N-[(1-tert-butylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide?
N-[(1-tert-butylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide has a molecular weight of 254.42 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 58408814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).