oxalic acid;N-(pyrrolidin-2-ylmethyl)naphthalen-2-amine

C19H22N2O8 — CID 17389955

IUPACoxalic acid;N-(pyrrolidin-2-ylmethyl)naphthalen-2-amine
SMILESO=C(O)C(=O)O.O=C(O)C(=O)O.c1ccc2cc(NCC3CCCN3)ccc2c1
InChIInChI=1S/C15H18N2.2C2H2O4/c1-2-5-13-10-14(8-7-12(13)4-1)17-11-15-6-3-9-16-15;2*3-1(4)2(5)6/h1-2,4-5,7-8,10,15-17H,3,6,9,11H2;2*(H,3,4)(H,5,6)
InChIKeyNMOKGSAYYIRCGV-UHFFFAOYSA-N
MW406.39 g/mol
LogP1.31
Rot. Bonds3

About oxalic acid;N-(pyrrolidin-2-ylmethyl)naphthalen-2-amine

oxalic acid;N-(pyrrolidin-2-ylmethyl)naphthalen-2-amine (PubChem CID 17389955) has the molecular formula C19H22N2O8 and a molecular weight of 406.39 g/mol. Its IUPAC name is oxalic acid;N-(pyrrolidin-2-ylmethyl)naphthalen-2-amine.

Molecular Properties

Compound Nameoxalic acid;N-(pyrrolidin-2-ylmethyl)naphthalen-2-amine
PubChem CID17389955
Molecular FormulaC19H22N2O8
Molecular Weight406.39 g/mol
Exact Mass406.14
IUPAC Nameoxalic acid;N-(pyrrolidin-2-ylmethyl)naphthalen-2-amine
SMILESO=C(O)C(=O)O.O=C(O)C(=O)O.c1ccc2cc(NCC3CCCN3)ccc2c1
InChIInChI=1S/C15H18N2.2C2H2O4/c1-2-5-13-10-14(8-7-12(13)4-1)17-11-15-6-3-9-16-15;2*3-1(4)2(5)6/h1-2,4-5,7-8,10,15-17H,3,6,9,11H2;2*(H,3,4)(H,5,6)
InChIKeyNMOKGSAYYIRCGV-UHFFFAOYSA-N
XLogP1.31
TPSA173.26 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.39
LogP ≤ 51.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze oxalic acid;N-(pyrrolidin-2-ylmethyl)naphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dichloro-N-(pyrrolidin-2-ylmethyl)aniline;oxalic acid
CID 17389918
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
CID 119514272
4-(pyrrolidin-2-ylmethylamino)benzoic acid
CID 106636873
4-phenyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 24936245
N-[(4-methylpiperazin-2-yl)methyl]naphthalen-2-amine
CID 115238597
[4-(pyrrolidin-2-ylmethylamino)phenyl]urea
CID 106637716
methyl N-[3-(pyrrolidin-2-ylmethylamino)phenyl]carbamate
CID 106637935
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]naphthalene-2-carboxamide
CID 104971760
methyl-[4-(pyrrolidin-2-ylmethylamino)phenyl]carbamic acid
CID 67666043
3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 75062155
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-[[(2S)-pyrrolidin-2-yl]methylamino]benzamide
CID 163231585
3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637941

Frequently Asked Questions

What is the IUPAC name of oxalic acid;N-(pyrrolidin-2-ylmethyl)naphthalen-2-amine?
The IUPAC name of oxalic acid;N-(pyrrolidin-2-ylmethyl)naphthalen-2-amine (CID 17389955) is oxalic acid;N-(pyrrolidin-2-ylmethyl)naphthalen-2-amine.
What is the SMILES notation for oxalic acid;N-(pyrrolidin-2-ylmethyl)naphthalen-2-amine?
The canonical SMILES for oxalic acid;N-(pyrrolidin-2-ylmethyl)naphthalen-2-amine is O=C(O)C(=O)O.O=C(O)C(=O)O.c1ccc2cc(NCC3CCCN3)ccc2c1.
What is the InChIKey of oxalic acid;N-(pyrrolidin-2-ylmethyl)naphthalen-2-amine?
The InChIKey is NMOKGSAYYIRCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2.2C2H2O4/c1-2-5-13-10-14(8-7-12(13)4-1)17-11-15-6-3-9-16-15;2*3-1(4)2(5)6/h1-2,4-5,7-8,10,15-17H,3,6,9,11H2;2*(H,3,4)(H,5,6).
What are the key properties of oxalic acid;N-(pyrrolidin-2-ylmethyl)naphthalen-2-amine?
oxalic acid;N-(pyrrolidin-2-ylmethyl)naphthalen-2-amine has a molecular weight of 406.39 g/mol, XLogP of 1.31, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;N-(pyrrolidin-2-ylmethyl)naphthalen-2-amine is sourced from PubChem (CID 17389955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).