N-[3-(aminomethyl)pentan-3-yl]-2,6-dihydroxybenzamide

C13H20N2O3 — CID 107690286

IUPACN-[3-(aminomethyl)pentan-3-yl]-2,6-dihydroxybenzamide
SMILESCCC(CC)(CN)NC(=O)c1c(O)cccc1O
InChIInChI=1S/C13H20N2O3/c1-3-13(4-2,8-14)15-12(18)11-9(16)6-5-7-10(11)17/h5-7,16-17H,3-4,8,14H2,1-2H3,(H,15,18)
InChIKeyQFIHJJKDFAWKKK-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.35
Rot. Bonds5

About N-[3-(aminomethyl)pentan-3-yl]-2,6-dihydroxybenzamide

N-[3-(aminomethyl)pentan-3-yl]-2,6-dihydroxybenzamide (PubChem CID 107690286) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2,6-dihydroxybenzamide
PubChem CID107690286
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2,6-dihydroxybenzamide
SMILESCCC(CC)(CN)NC(=O)c1c(O)cccc1O
InChIInChI=1S/C13H20N2O3/c1-3-13(4-2,8-14)15-12(18)11-9(16)6-5-7-10(11)17/h5-7,16-17H,3-4,8,14H2,1-2H3,(H,15,18)
InChIKeyQFIHJJKDFAWKKK-UHFFFAOYSA-N
XLogP1.35
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-chloro-2-(chloromethyl)butan-2-yl]-2,6-dihydroxybenzamide
CID 107867672
N-[3-(aminomethyl)pentan-3-yl]-2,4,6-trimethylbenzamide
CID 63764973
N-(3-carbamothioylpentan-3-yl)-2,6-dihydroxybenzamide
CID 107688677
N-[3-(aminomethyl)pentan-3-yl]-2,3-difluorobenzamide
CID 63767818
N-[2-(aminomethyl)-2-ethylbutyl]-2,6-dihydroxybenzamide
CID 106250427
N-[3-(aminomethyl)pentan-3-yl]-2-methyl-3-nitrobenzamide;hydrochloride
CID 119569053
N-[3-(aminomethyl)pentan-3-yl]-3-iodo-2-methylbenzamide;hydrochloride
CID 119571130
N-[3-(aminomethyl)pentan-3-yl]-3-ethoxybenzamide
CID 119571027
N-[3-(aminomethyl)pentan-3-yl]-4-fluorobenzamide;hydrochloride
CID 119570827
N-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide
CID 63767262
N-[3-(aminomethyl)pentan-3-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 119568712
N-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxybenzamide
CID 63767069

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2,6-dihydroxybenzamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2,6-dihydroxybenzamide (CID 107690286) is N-[3-(aminomethyl)pentan-3-yl]-2,6-dihydroxybenzamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2,6-dihydroxybenzamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2,6-dihydroxybenzamide is CCC(CC)(CN)NC(=O)c1c(O)cccc1O.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2,6-dihydroxybenzamide?
The InChIKey is QFIHJJKDFAWKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-13(4-2,8-14)15-12(18)11-9(16)6-5-7-10(11)17/h5-7,16-17H,3-4,8,14H2,1-2H3,(H,15,18).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2,6-dihydroxybenzamide?
N-[3-(aminomethyl)pentan-3-yl]-2,6-dihydroxybenzamide has a molecular weight of 252.31 g/mol, XLogP of 1.35, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2,6-dihydroxybenzamide is sourced from PubChem (CID 107690286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).