N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylpyrrolidin-1-yl)propanamide

C16H25N3O — CID 63215911

IUPACN-[3-(aminomethyl)phenyl]-3-(2,2-dimethylpyrrolidin-1-yl)propanamide
SMILESCC1(C)CCCN1CCC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C16H25N3O/c1-16(2)8-4-9-19(16)10-7-15(20)18-14-6-3-5-13(11-14)12-17/h3,5-6,11H,4,7-10,12,17H2,1-2H3,(H,18,20)
InChIKeyRALTVFSMGJAAIH-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.35
Rot. Bonds5

About N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylpyrrolidin-1-yl)propanamide

N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylpyrrolidin-1-yl)propanamide (PubChem CID 63215911) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3-(2,2-dimethylpyrrolidin-1-yl)propanamide
PubChem CID63215911
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[3-(aminomethyl)phenyl]-3-(2,2-dimethylpyrrolidin-1-yl)propanamide
SMILESCC1(C)CCCN1CCC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C16H25N3O/c1-16(2)8-4-9-19(16)10-7-15(20)18-14-6-3-5-13(11-14)12-17/h3,5-6,11H,4,7-10,12,17H2,1-2H3,(H,18,20)
InChIKeyRALTVFSMGJAAIH-UHFFFAOYSA-N
XLogP2.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylpyrrolidin-1-yl)propanamide (CID 63215911) is N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylpyrrolidin-1-yl)propanamide is CC1(C)CCCN1CCC(=O)Nc1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylpyrrolidin-1-yl)propanamide?
The InChIKey is RALTVFSMGJAAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(2)8-4-9-19(16)10-7-15(20)18-14-6-3-5-13(11-14)12-17/h3,5-6,11H,4,7-10,12,17H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylpyrrolidin-1-yl)propanamide?
N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylpyrrolidin-1-yl)propanamide has a molecular weight of 275.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 63215911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).