N-[3-(aminomethyl)pentan-3-yl]-5-(4-bromophenoxy)pentanamide;hydrochloride

C17H28BrClN2O2 — CID 119568938

IUPACN-[3-(aminomethyl)pentan-3-yl]-5-(4-bromophenoxy)pentanamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CCCCOc1ccc(Br)cc1.Cl
InChIInChI=1S/C17H27BrN2O2.ClH/c1-3-17(4-2,13-19)20-16(21)7-5-6-12-22-15-10-8-14(18)9-11-15;/h8-11H,3-7,12-13,19H2,1-2H3,(H,20,21);1H
InChIKeyQFEXCYIRFRHUCW-UHFFFAOYSA-N
MW407.78 g/mol
LogP4.05
Rot. Bonds10

About N-[3-(aminomethyl)pentan-3-yl]-5-(4-bromophenoxy)pentanamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-5-(4-bromophenoxy)pentanamide;hydrochloride (PubChem CID 119568938) has the molecular formula C17H28BrClN2O2 and a molecular weight of 407.78 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-5-(4-bromophenoxy)pentanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-5-(4-bromophenoxy)pentanamide;hydrochloride
PubChem CID119568938
Molecular FormulaC17H28BrClN2O2
Molecular Weight407.78 g/mol
Exact Mass406.10
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-5-(4-bromophenoxy)pentanamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CCCCOc1ccc(Br)cc1.Cl
InChIInChI=1S/C17H27BrN2O2.ClH/c1-3-17(4-2,13-19)20-16(21)7-5-6-12-22-15-10-8-14(18)9-11-15;/h8-11H,3-7,12-13,19H2,1-2H3,(H,20,21);1H
InChIKeyQFEXCYIRFRHUCW-UHFFFAOYSA-N
XLogP4.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.78
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]butanamide
CID 62520654
N-[3-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride
CID 119568655
N-[3-(aminomethyl)pentan-3-yl]-2-(4-bromophenoxy)acetamide
CID 119569073
4-(4-acetylphenoxy)-N-[3-(aminomethyl)pentan-3-yl]butanamide;hydrochloride
CID 119569106
N-[3-(aminomethyl)pentan-3-yl]-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119569552
N-(1-amino-2,3-dimethylbutan-2-yl)-5-(4-bromophenoxy)pentanamide
CID 119605778
N-[3-(aminomethyl)pentan-3-yl]-5-(3-methylphenoxy)pentanamide
CID 119569818
N-[3-(aminomethyl)pentan-3-yl]-5-methoxypentanamide;hydrochloride
CID 119570681
N-[3-(aminomethyl)pentan-3-yl]-4-(4-bromophenyl)sulfinylbutanamide;hydrochloride
CID 119571593
2-[4-(4-bromophenoxy)butanoylamino]-2-methylbutanoic acid
CID 79789268
3-(4-bromophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
CID 64558336
N-[3-(aminomethyl)pentan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 119570439

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-5-(4-bromophenoxy)pentanamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-5-(4-bromophenoxy)pentanamide;hydrochloride (CID 119568938) is N-[3-(aminomethyl)pentan-3-yl]-5-(4-bromophenoxy)pentanamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-5-(4-bromophenoxy)pentanamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-5-(4-bromophenoxy)pentanamide;hydrochloride is CCC(CC)(CN)NC(=O)CCCCOc1ccc(Br)cc1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-5-(4-bromophenoxy)pentanamide;hydrochloride?
The InChIKey is QFEXCYIRFRHUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O2.ClH/c1-3-17(4-2,13-19)20-16(21)7-5-6-12-22-15-10-8-14(18)9-11-15;/h8-11H,3-7,12-13,19H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-5-(4-bromophenoxy)pentanamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-5-(4-bromophenoxy)pentanamide;hydrochloride has a molecular weight of 407.78 g/mol, XLogP of 4.05, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-5-(4-bromophenoxy)pentanamide;hydrochloride is sourced from PubChem (CID 119568938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).