5-[[(2-hydroxycyclopentyl)amino]methyl]-2-(methylaminomethyl)benzaldehyde

C15H22N2O2 — CID 165410632

IUPAC5-[[(2-hydroxycyclopentyl)amino]methyl]-2-(methylaminomethyl)benzaldehyde
SMILESCNCc1ccc(CNC2CCCC2O)cc1C=O
InChIInChI=1S/C15H22N2O2/c1-16-9-12-6-5-11(7-13(12)10-18)8-17-14-3-2-4-15(14)19/h5-7,10,14-17,19H,2-4,8-9H2,1H3
InChIKeyOAWCYDKMGABVND-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.22
Rot. Bonds6

About 5-[[(2-hydroxycyclopentyl)amino]methyl]-2-(methylaminomethyl)benzaldehyde

5-[[(2-hydroxycyclopentyl)amino]methyl]-2-(methylaminomethyl)benzaldehyde (PubChem CID 165410632) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-[[(2-hydroxycyclopentyl)amino]methyl]-2-(methylaminomethyl)benzaldehyde.

Molecular Properties

Compound Name5-[[(2-hydroxycyclopentyl)amino]methyl]-2-(methylaminomethyl)benzaldehyde
PubChem CID165410632
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name5-[[(2-hydroxycyclopentyl)amino]methyl]-2-(methylaminomethyl)benzaldehyde
SMILESCNCc1ccc(CNC2CCCC2O)cc1C=O
InChIInChI=1S/C15H22N2O2/c1-16-9-12-6-5-11(7-13(12)10-18)8-17-14-3-2-4-15(14)19/h5-7,10,14-17,19H,2-4,8-9H2,1H3
InChIKeyOAWCYDKMGABVND-UHFFFAOYSA-N
XLogP1.22
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-2-(methylaminomethyl)benzaldehyde
CID 143512508
trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclopentan-1-ol
CID 93382274
2-[(4-ethylphenyl)methylamino]cyclohexan-1-ol
CID 60612614
2-[(4-methylphenyl)methylamino]cyclohexan-1-ol
CID 60714627
5-methyl-2-(methylaminomethyl)benzaldehyde
CID 142196530
trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclohexan-1-ol
CID 93382278
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)cyclohexan-1-ol
CID 62358859
trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol
CID 104923295
cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 39345640
cis-(1R,2S)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 93317511
2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 60612459
2-(1H-indol-5-ylmethylamino)cycloheptan-1-ol
CID 102911793

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-hydroxycyclopentyl)amino]methyl]-2-(methylaminomethyl)benzaldehyde?
The IUPAC name of 5-[[(2-hydroxycyclopentyl)amino]methyl]-2-(methylaminomethyl)benzaldehyde (CID 165410632) is 5-[[(2-hydroxycyclopentyl)amino]methyl]-2-(methylaminomethyl)benzaldehyde.
What is the SMILES notation for 5-[[(2-hydroxycyclopentyl)amino]methyl]-2-(methylaminomethyl)benzaldehyde?
The canonical SMILES for 5-[[(2-hydroxycyclopentyl)amino]methyl]-2-(methylaminomethyl)benzaldehyde is CNCc1ccc(CNC2CCCC2O)cc1C=O.
What is the InChIKey of 5-[[(2-hydroxycyclopentyl)amino]methyl]-2-(methylaminomethyl)benzaldehyde?
The InChIKey is OAWCYDKMGABVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-16-9-12-6-5-11(7-13(12)10-18)8-17-14-3-2-4-15(14)19/h5-7,10,14-17,19H,2-4,8-9H2,1H3.
What are the key properties of 5-[[(2-hydroxycyclopentyl)amino]methyl]-2-(methylaminomethyl)benzaldehyde?
5-[[(2-hydroxycyclopentyl)amino]methyl]-2-(methylaminomethyl)benzaldehyde has a molecular weight of 262.35 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-hydroxycyclopentyl)amino]methyl]-2-(methylaminomethyl)benzaldehyde is sourced from PubChem (CID 165410632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).