oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine

C13H18N2O4 — CID 17052919

IUPACoxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine
SMILESO=C(O)C(=O)O.c1ccc(CNC2CCCC2)nc1
InChIInChI=1S/C11H16N2.C2H2O4/c1-2-6-10(5-1)13-9-11-7-3-4-8-12-11;3-1(4)2(5)6/h3-4,7-8,10,13H,1-2,5-6,9H2;(H,3,4)(H,5,6)
InChIKeyLZDONNOKUOTESU-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.27
Rot. Bonds3

About oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine

oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine (PubChem CID 17052919) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine.

Molecular Properties

Compound Nameoxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine
PubChem CID17052919
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Nameoxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine
SMILESO=C(O)C(=O)O.c1ccc(CNC2CCCC2)nc1
InChIInChI=1S/C11H16N2.C2H2O4/c1-2-6-10(5-1)13-9-11-7-3-4-8-12-11;3-1(4)2(5)6/h3-4,7-8,10,13H,1-2,5-6,9H2;(H,3,4)(H,5,6)
InChIKeyLZDONNOKUOTESU-UHFFFAOYSA-N
XLogP1.27
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.27
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

ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
4-(pyridin-2-ylmethylamino)cyclohexane-1-carboxamide
CID 43433255
trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 25052289
1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65071092
cyclopropyl-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methanone
CID 43434771
3-(cycloheptylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023192
4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65080736
trans-(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol
CID 93317480
cis-(1S,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol
CID 93317478
1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65072640
N-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine
CID 115696455
N'-cyclohexyl-N-(pyridin-2-ylmethyl)oxamide
CID 2844203

Frequently Asked Questions

What is the IUPAC name of oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine?
The IUPAC name of oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine (CID 17052919) is oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine.
What is the SMILES notation for oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine?
The canonical SMILES for oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine is O=C(O)C(=O)O.c1ccc(CNC2CCCC2)nc1.
What is the InChIKey of oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine?
The InChIKey is LZDONNOKUOTESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.C2H2O4/c1-2-6-10(5-1)13-9-11-7-3-4-8-12-11;3-1(4)2(5)6/h3-4,7-8,10,13H,1-2,5-6,9H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine?
oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine has a molecular weight of 266.30 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine is sourced from PubChem (CID 17052919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).