3-(aminomethyl)-N-(6-bromonaphthalen-2-yl)pentanamide

C16H19BrN2O — CID 81260017

IUPAC3-(aminomethyl)-N-(6-bromonaphthalen-2-yl)pentanamide
SMILESCCC(CN)CC(=O)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H19BrN2O/c1-2-11(10-18)7-16(20)19-15-6-4-12-8-14(17)5-3-13(12)9-15/h3-6,8-9,11H,2,7,10,18H2,1H3,(H,19,20)
InChIKeySBDMNEHSBJWBMZ-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.92
Rot. Bonds5

About 3-(aminomethyl)-N-(6-bromonaphthalen-2-yl)pentanamide

3-(aminomethyl)-N-(6-bromonaphthalen-2-yl)pentanamide (PubChem CID 81260017) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(6-bromonaphthalen-2-yl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(6-bromonaphthalen-2-yl)pentanamide
PubChem CID81260017
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name3-(aminomethyl)-N-(6-bromonaphthalen-2-yl)pentanamide
SMILESCCC(CN)CC(=O)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H19BrN2O/c1-2-11(10-18)7-16(20)19-15-6-4-12-8-14(17)5-3-13(12)9-15/h3-6,8-9,11H,2,7,10,18H2,1H3,(H,19,20)
InChIKeySBDMNEHSBJWBMZ-UHFFFAOYSA-N
XLogP3.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-bromonaphthalen-2-yl)-3-methylbutanamide
CID 81259381
3-(aminomethyl)-N-(3-bromo-4-methylphenyl)pentanamide
CID 81079486
3-(aminomethyl)-N-(4-bromo-2-fluorophenyl)pentanamide
CID 81070368
3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide
CID 81087226
3-(aminomethyl)-N-(4-fluorophenyl)pentanamide
CID 81071989
3-(aminomethyl)-N-(4-iodophenyl)pentanamide
CID 81070652
N-(4-acetylphenyl)-3-(aminomethyl)pentanamide
CID 81086671
2-bromo-N-(6-bromonaphthalen-2-yl)butanamide
CID 81260484
3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide
CID 81086588
3-(aminomethyl)-N-(1,3-dioxoisoindol-5-yl)pentanamide
CID 81072000
N-(6-bromonaphthalen-2-yl)-2-ethoxyacetamide
CID 81003546
3-(aminomethyl)-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 81075870

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(6-bromonaphthalen-2-yl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(6-bromonaphthalen-2-yl)pentanamide (CID 81260017) is 3-(aminomethyl)-N-(6-bromonaphthalen-2-yl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(6-bromonaphthalen-2-yl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(6-bromonaphthalen-2-yl)pentanamide is CCC(CN)CC(=O)Nc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 3-(aminomethyl)-N-(6-bromonaphthalen-2-yl)pentanamide?
The InChIKey is SBDMNEHSBJWBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-2-11(10-18)7-16(20)19-15-6-4-12-8-14(17)5-3-13(12)9-15/h3-6,8-9,11H,2,7,10,18H2,1H3,(H,19,20).
What are the key properties of 3-(aminomethyl)-N-(6-bromonaphthalen-2-yl)pentanamide?
3-(aminomethyl)-N-(6-bromonaphthalen-2-yl)pentanamide has a molecular weight of 335.25 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(6-bromonaphthalen-2-yl)pentanamide is sourced from PubChem (CID 81260017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).