2-(aminomethyl)-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide

C17H21BrN2O — CID 81266386

IUPAC2-(aminomethyl)-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide
SMILESCC(C)CC(CN)C(=O)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H21BrN2O/c1-11(2)7-14(10-19)17(21)20-16-6-4-12-8-15(18)5-3-13(12)9-16/h3-6,8-9,11,14H,7,10,19H2,1-2H3,(H,20,21)
InChIKeyDQGKUQWMXOEMON-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.16
Rot. Bonds5

About 2-(aminomethyl)-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide

2-(aminomethyl)-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide (PubChem CID 81266386) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide
PubChem CID81266386
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name2-(aminomethyl)-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide
SMILESCC(C)CC(CN)C(=O)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H21BrN2O/c1-11(2)7-14(10-19)17(21)20-16-6-4-12-8-15(18)5-3-13(12)9-16/h3-6,8-9,11,14H,7,10,19H2,1-2H3,(H,20,21)
InChIKeyDQGKUQWMXOEMON-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide
CID 104903779
5-[[2-(aminomethyl)-4-methylpentanoyl]amino]-2-bromobenzoic acid
CID 115296437
N-(6-bromonaphthalen-2-yl)-3-methylbutanamide
CID 81259381
2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-4-methylpentanamide
CID 103809416
2-bromo-N-(6-bromonaphthalen-2-yl)butanamide
CID 81260484
3-(aminomethyl)-N-(6-bromonaphthalen-2-yl)pentanamide
CID 81260017
(2S)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylsulfanylbutanamide
CID 81259945
2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-4-methylpentanamide
CID 81359365
3-[4-[[2-(aminomethyl)-4-methylpentanoyl]amino]phenyl]propanoic acid
CID 115340042
(2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide
CID 58642005
2-amino-4-methyl-N-naphthalen-2-ylpentanamide chloride
CID 5351894
2-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]-4-methylpentanamide
CID 81376331

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide (CID 81266386) is 2-(aminomethyl)-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide is CC(C)CC(CN)C(=O)Nc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-(aminomethyl)-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide?
The InChIKey is DQGKUQWMXOEMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-11(2)7-14(10-19)17(21)20-16-6-4-12-8-15(18)5-3-13(12)9-16/h3-6,8-9,11,14H,7,10,19H2,1-2H3,(H,20,21).
What are the key properties of 2-(aminomethyl)-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide?
2-(aminomethyl)-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide has a molecular weight of 349.27 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide is sourced from PubChem (CID 81266386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).