2-(tert-butylamino)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-3-one

C15H30N2O — CID 20750355

IUPAC2-(tert-butylamino)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-3-one
SMILESCC(C)(C)NC(CN1CCCC1)C(=O)C(C)(C)C
InChIInChI=1S/C15H30N2O/c1-14(2,3)13(18)12(16-15(4,5)6)11-17-9-7-8-10-17/h12,16H,7-11H2,1-6H3
InChIKeyPDMACVFLOJHOTQ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.45
Rot. Bonds4

About 2-(tert-butylamino)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-3-one

2-(tert-butylamino)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-3-one (PubChem CID 20750355) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-(tert-butylamino)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-3-one.

Molecular Properties

Compound Name2-(tert-butylamino)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-3-one
PubChem CID20750355
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-(tert-butylamino)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-3-one
SMILESCC(C)(C)NC(CN1CCCC1)C(=O)C(C)(C)C
InChIInChI=1S/C15H30N2O/c1-14(2,3)13(18)12(16-15(4,5)6)11-17-9-7-8-10-17/h12,16H,7-11H2,1-6H3
InChIKeyPDMACVFLOJHOTQ-UHFFFAOYSA-N
XLogP2.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-3-one?
The IUPAC name of 2-(tert-butylamino)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-3-one (CID 20750355) is 2-(tert-butylamino)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-3-one.
What is the SMILES notation for 2-(tert-butylamino)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-3-one?
The canonical SMILES for 2-(tert-butylamino)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-3-one is CC(C)(C)NC(CN1CCCC1)C(=O)C(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-3-one?
The InChIKey is PDMACVFLOJHOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-14(2,3)13(18)12(16-15(4,5)6)11-17-9-7-8-10-17/h12,16H,7-11H2,1-6H3.
What are the key properties of 2-(tert-butylamino)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-3-one?
2-(tert-butylamino)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-3-one has a molecular weight of 254.42 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-3-one is sourced from PubChem (CID 20750355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).