2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-propylphenyl)acetamide

C16H25N3O — CID 81490451

IUPAC2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)CN2CCCC2CN)cc1
InChIInChI=1S/C16H25N3O/c1-2-4-13-6-8-14(9-7-13)18-16(20)12-19-10-3-5-15(19)11-17/h6-9,15H,2-5,10-12,17H2,1H3,(H,18,20)
InChIKeySVFXQOZWJDRQFV-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.00
Rot. Bonds6

About 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-propylphenyl)acetamide

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-propylphenyl)acetamide (PubChem CID 81490451) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-propylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-propylphenyl)acetamide
PubChem CID81490451
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)CN2CCCC2CN)cc1
InChIInChI=1S/C16H25N3O/c1-2-4-13-6-8-14(9-7-13)18-16(20)12-19-10-3-5-15(19)11-17/h6-9,15H,2-5,10-12,17H2,1H3,(H,18,20)
InChIKeySVFXQOZWJDRQFV-UHFFFAOYSA-N
XLogP2.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-(2-propylpiperidin-1-yl)acetamide
CID 83052129
N-[4-(aminomethyl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266257
2-[2-(aminomethyl)piperidin-1-yl]-N-phenylacetamide
CID 43186987
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride
CID 119927202
2-amino-N-(4-propylphenyl)acetamide
CID 43216495
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide;hydrochloride
CID 119926972
N-(4-ethylphenyl)-2-[(2S)-2-methylpyrrolidin-1-yl]acetamide
CID 95774756
2-(3-formylpiperidin-1-yl)-N-(4-propylphenyl)acetamide
CID 62654217
N-(4-fluorophenyl)-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79546400
N-(4-acetylphenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 109006395
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 78942403
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 81493296

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-propylphenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-propylphenyl)acetamide (CID 81490451) is 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-propylphenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-propylphenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-propylphenyl)acetamide is CCCc1ccc(NC(=O)CN2CCCC2CN)cc1.
What is the InChIKey of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-propylphenyl)acetamide?
The InChIKey is SVFXQOZWJDRQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-4-13-6-8-14(9-7-13)18-16(20)12-19-10-3-5-15(19)11-17/h6-9,15H,2-5,10-12,17H2,1H3,(H,18,20).
What are the key properties of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-propylphenyl)acetamide?
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-propylphenyl)acetamide has a molecular weight of 275.40 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-propylphenyl)acetamide is sourced from PubChem (CID 81490451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).