N-[2-(aminomethyl)cyclohexyl]-2,5-dihydroxybenzamide

C14H20N2O3 — CID 107725193

IUPACN-[2-(aminomethyl)cyclohexyl]-2,5-dihydroxybenzamide
SMILESNCC1CCCCC1NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C14H20N2O3/c15-8-9-3-1-2-4-12(9)16-14(19)11-7-10(17)5-6-13(11)18/h5-7,9,12,17-18H,1-4,8,15H2,(H,16,19)
InChIKeyPZVDBVSDNHACEK-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.35
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-2,5-dihydroxybenzamide

N-[2-(aminomethyl)cyclohexyl]-2,5-dihydroxybenzamide (PubChem CID 107725193) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2,5-dihydroxybenzamide
PubChem CID107725193
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2,5-dihydroxybenzamide
SMILESNCC1CCCCC1NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C14H20N2O3/c15-8-9-3-1-2-4-12(9)16-14(19)11-7-10(17)5-6-13(11)18/h5-7,9,12,17-18H,1-4,8,15H2,(H,16,19)
InChIKeyPZVDBVSDNHACEK-UHFFFAOYSA-N
XLogP1.35
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(chloromethyl)cyclohexyl]-2,5-dihydroxybenzamide
CID 114179613
N-[2-(aminomethyl)cyclohexyl]-2,4-dibromobenzamide
CID 107940016
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-[2-(bromomethyl)cyclopentyl]-2,4-dihydroxybenzamide
CID 106366292
2,5-dihydroxy-N-(2-methoxycyclopentyl)benzamide
CID 107722870
N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-iodobenzamide
CID 103807257
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride
CID 119610574
2-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 103822598
N-(2-amino-1-cyclohexylethyl)-2,5-dihydroxybenzamide
CID 107725268
N-[2-(aminomethyl)cyclohexyl]-4-bromo-2-chlorobenzamide;hydrochloride
CID 119612232
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
CID 107725996
N-[2-(aminomethyl)cyclopentyl]-3-hydroxy-4-methoxybenzamide
CID 79725712

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2,5-dihydroxybenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2,5-dihydroxybenzamide (CID 107725193) is N-[2-(aminomethyl)cyclohexyl]-2,5-dihydroxybenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2,5-dihydroxybenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2,5-dihydroxybenzamide is NCC1CCCCC1NC(=O)c1cc(O)ccc1O.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2,5-dihydroxybenzamide?
The InChIKey is PZVDBVSDNHACEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-8-9-3-1-2-4-12(9)16-14(19)11-7-10(17)5-6-13(11)18/h5-7,9,12,17-18H,1-4,8,15H2,(H,16,19).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2,5-dihydroxybenzamide?
N-[2-(aminomethyl)cyclohexyl]-2,5-dihydroxybenzamide has a molecular weight of 264.32 g/mol, XLogP of 1.35, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2,5-dihydroxybenzamide is sourced from PubChem (CID 107725193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).