N-[3-(aminomethyl)pentan-3-yl]-6-bromonaphthalene-2-carboxamide

C17H21BrN2O — CID 115354227

IUPACN-[3-(aminomethyl)pentan-3-yl]-6-bromonaphthalene-2-carboxamide
SMILESCCC(CC)(CN)NC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H21BrN2O/c1-3-17(4-2,11-19)20-16(21)14-6-5-13-10-15(18)8-7-12(13)9-14/h5-10H,3-4,11,19H2,1-2H3,(H,20,21)
InChIKeyXSKOCEVFKALTPM-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.85
Rot. Bonds5

About N-[3-(aminomethyl)pentan-3-yl]-6-bromonaphthalene-2-carboxamide

N-[3-(aminomethyl)pentan-3-yl]-6-bromonaphthalene-2-carboxamide (PubChem CID 115354227) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-6-bromonaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-6-bromonaphthalene-2-carboxamide
PubChem CID115354227
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-6-bromonaphthalene-2-carboxamide
SMILESCCC(CC)(CN)NC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H21BrN2O/c1-3-17(4-2,11-19)20-16(21)14-6-5-13-10-15(18)8-7-12(13)9-14/h5-10H,3-4,11,19H2,1-2H3,(H,20,21)
InChIKeyXSKOCEVFKALTPM-UHFFFAOYSA-N
XLogP3.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119568785
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N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-6-bromonaphthalene-2-carboxamide
CID 115353856
N-[3-(aminomethyl)pentan-3-yl]-4-bromo-2-(trifluoromethyl)benzamide
CID 107333139
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CID 119571856
N-[3-(aminomethyl)pentan-3-yl]-4-fluorobenzamide;hydrochloride
CID 119570827
N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide
CID 104877086
N-[3-(aminomethyl)pentan-3-yl]-3-fluoro-4-iodobenzamide;hydrochloride
CID 119571597
N-[3-(aminomethyl)pentan-3-yl]-3-ethoxybenzamide
CID 119571027
N-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxybenzamide
CID 63767069
4-bromo-N-[1-chloro-2-(chloromethyl)butan-2-yl]benzamide
CID 107867592
N-[3-(aminomethyl)pentan-3-yl]-4-propylbenzamide;hydrochloride
CID 119571299

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-6-bromonaphthalene-2-carboxamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-6-bromonaphthalene-2-carboxamide (CID 115354227) is N-[3-(aminomethyl)pentan-3-yl]-6-bromonaphthalene-2-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-6-bromonaphthalene-2-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-6-bromonaphthalene-2-carboxamide is CCC(CC)(CN)NC(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-6-bromonaphthalene-2-carboxamide?
The InChIKey is XSKOCEVFKALTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-3-17(4-2,11-19)20-16(21)14-6-5-13-10-15(18)8-7-12(13)9-14/h5-10H,3-4,11,19H2,1-2H3,(H,20,21).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-6-bromonaphthalene-2-carboxamide?
N-[3-(aminomethyl)pentan-3-yl]-6-bromonaphthalene-2-carboxamide has a molecular weight of 349.27 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-6-bromonaphthalene-2-carboxamide is sourced from PubChem (CID 115354227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).