N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid

C16H24N2O4 — CID 17053062

IUPACN-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
SMILESCCN1CCCC1CNCc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C14H22N2.C2H2O4/c1-2-16-10-6-9-14(16)12-15-11-13-7-4-3-5-8-13;3-1(4)2(5)6/h3-5,7-8,14-15H,2,6,9-12H2,1H3;(H,3,4)(H,5,6)
InChIKeyXMGVTTWNOWDTOS-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.42
Rot. Bonds5

About N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid

N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid (PubChem CID 17053062) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid.

Molecular Properties

Compound NameN-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
PubChem CID17053062
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
SMILESCCN1CCCC1CNCc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C14H22N2.C2H2O4/c1-2-16-10-6-9-14(16)12-15-11-13-7-4-3-5-8-13;3-1(4)2(5)6/h3-5,7-8,14-15H,2,6,9-12H2,1H3;(H,3,4)(H,5,6)
InChIKeyXMGVTTWNOWDTOS-UHFFFAOYSA-N
XLogP1.42
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]benzoic acid;dihydrochloride
CID 17215973
N-[4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenyl]acetamide
CID 51637876
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methylphenyl)methyl]methanamine
CID 51627856
1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine;oxalic acid
CID 17053126
ethyl 3-[2-[(benzylamino)methyl]pyrrolidin-1-yl]propanoate
CID 58861501
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine
CID 51627868
N-benzyl-3-(1-ethylpyrrolidin-2-yl)propan-1-amine
CID 102569978
1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 3157143
N-[(3-bromophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 17213784
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]methanamine
CID 834575
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid?
The IUPAC name of N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid (CID 17053062) is N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid.
What is the SMILES notation for N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid?
The canonical SMILES for N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid is CCN1CCCC1CNCc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid?
The InChIKey is XMGVTTWNOWDTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.C2H2O4/c1-2-16-10-6-9-14(16)12-15-11-13-7-4-3-5-8-13;3-1(4)2(5)6/h3-5,7-8,14-15H,2,6,9-12H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid?
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid has a molecular weight of 308.38 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid is sourced from PubChem (CID 17053062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).