N-[(3-methylphenyl)methyl]cyclopentanamine;oxalic acid

C15H21NO4 — CID 163327213

IUPACN-[(3-methylphenyl)methyl]cyclopentanamine;oxalic acid
SMILESCc1cccc(CNC2CCCC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C13H19N.C2H2O4/c1-11-5-4-6-12(9-11)10-14-13-7-2-3-8-13;3-1(4)2(5)6/h4-6,9,13-14H,2-3,7-8,10H2,1H3;(H,3,4)(H,5,6)
InChIKeyRPXTXWMNDYNZSA-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.18
Rot. Bonds3

About N-[(3-methylphenyl)methyl]cyclopentanamine;oxalic acid

N-[(3-methylphenyl)methyl]cyclopentanamine;oxalic acid (PubChem CID 163327213) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]cyclopentanamine;oxalic acid.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]cyclopentanamine;oxalic acid
PubChem CID163327213
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC NameN-[(3-methylphenyl)methyl]cyclopentanamine;oxalic acid
SMILESCc1cccc(CNC2CCCC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C13H19N.C2H2O4/c1-11-5-4-6-12(9-11)10-14-13-7-2-3-8-13;3-1(4)2(5)6/h4-6,9,13-14H,2-3,7-8,10H2,1H3;(H,3,4)(H,5,6)
InChIKeyRPXTXWMNDYNZSA-UHFFFAOYSA-N
XLogP2.18
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
2-(cyclohexylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 108993563
N-[(3-nitrophenyl)methyl]cyclohexanamine;oxalic acid
CID 17367766
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclohexan-1-ol
CID 93382278
N-cyclohexyl-2-[(3-methylphenyl)methylamino]acetamide
CID 60903369
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
N-cyclopentyl-3-[(3-methylphenyl)methylamino]propanamide
CID 109013435
2-[3-[(cyclohexylamino)methyl]phenoxy]acetic acid
CID 102535848
N-cyclohexyl-3-[(3-methylphenyl)methylamino]propanamide
CID 109013960
N-[3-[(cyclopropylamino)methyl]phenyl]-3-methylbenzamide
CID 106910927
4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046875

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]cyclopentanamine;oxalic acid?
The IUPAC name of N-[(3-methylphenyl)methyl]cyclopentanamine;oxalic acid (CID 163327213) is N-[(3-methylphenyl)methyl]cyclopentanamine;oxalic acid.
What is the SMILES notation for N-[(3-methylphenyl)methyl]cyclopentanamine;oxalic acid?
The canonical SMILES for N-[(3-methylphenyl)methyl]cyclopentanamine;oxalic acid is Cc1cccc(CNC2CCCC2)c1.O=C(O)C(=O)O.
What is the InChIKey of N-[(3-methylphenyl)methyl]cyclopentanamine;oxalic acid?
The InChIKey is RPXTXWMNDYNZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C2H2O4/c1-11-5-4-6-12(9-11)10-14-13-7-2-3-8-13;3-1(4)2(5)6/h4-6,9,13-14H,2-3,7-8,10H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-[(3-methylphenyl)methyl]cyclopentanamine;oxalic acid?
N-[(3-methylphenyl)methyl]cyclopentanamine;oxalic acid has a molecular weight of 279.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]cyclopentanamine;oxalic acid is sourced from PubChem (CID 163327213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).