2,3,3-trimethyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride

C13H27ClN2O — CID 119534841

IUPAC2,3,3-trimethyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
SMILESCC(C(=O)NCCC1CCNC1)C(C)(C)C.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10(13(2,3)4)12(16)15-8-6-11-5-7-14-9-11;/h10-11,14H,5-9H2,1-4H3,(H,15,16);1H
InChIKeyOYJTXVNRQQJSEJ-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.21
Rot. Bonds4

About 2,3,3-trimethyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride

2,3,3-trimethyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride (PubChem CID 119534841) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 2,3,3-trimethyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name2,3,3-trimethyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
PubChem CID119534841
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name2,3,3-trimethyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
SMILESCC(C(=O)NCCC1CCNC1)C(C)(C)C.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10(13(2,3)4)12(16)15-8-6-11-5-7-14-9-11;/h10-11,14H,5-9H2,1-4H3,(H,15,16);1H
InChIKeyOYJTXVNRQQJSEJ-UHFFFAOYSA-N
XLogP2.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 63624155
2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555477
2-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 112701317
N-(2-piperidin-4-ylethyl)acetamide;hydrochloride
CID 70084913
N-[2-[(3S)-pyrrolidin-3-yl]ethyl]propan-2-amine;hydrochloride
CID 71637413
4-methyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride
CID 119533754
2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
CID 172876281
N-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride
CID 119537193
ethane;2-methyl-N-(2-piperidin-4-ylethyl)butanamide;molecular hydrogen
CID 176985779
4-methyl-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide
CID 119534796
4-methyl-N-(2-pyrrolidin-3-ylethyl)pentan-1-amine
CID 115210839
2-naphthalen-2-yl-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119537609

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride?
The IUPAC name of 2,3,3-trimethyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride (CID 119534841) is 2,3,3-trimethyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride.
What is the SMILES notation for 2,3,3-trimethyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride?
The canonical SMILES for 2,3,3-trimethyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride is CC(C(=O)NCCC1CCNC1)C(C)(C)C.Cl.
What is the InChIKey of 2,3,3-trimethyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride?
The InChIKey is OYJTXVNRQQJSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-10(13(2,3)4)12(16)15-8-6-11-5-7-14-9-11;/h10-11,14H,5-9H2,1-4H3,(H,15,16);1H.
What are the key properties of 2,3,3-trimethyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride?
2,3,3-trimethyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride is sourced from PubChem (CID 119534841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).