butyl-ethyl-(naphthalen-1-ylmethyl)azanium

C17H24N+ — CID 7322271

IUPACbutyl-ethyl-(naphthalen-1-ylmethyl)azanium
SMILESCCCC[NH+](CC)Cc1cccc2ccccc12
InChIInChI=1S/C17H23N/c1-3-5-13-18(4-2)14-16-11-8-10-15-9-6-7-12-17(15)16/h6-12H,3-5,13-14H2,1-2H3/p+1
InChIKeyZHNYVQPVNHESHP-UHFFFAOYSA-O
MW242.39 g/mol
LogP3.04
Rot. Bonds6

About butyl-ethyl-(naphthalen-1-ylmethyl)azanium

butyl-ethyl-(naphthalen-1-ylmethyl)azanium (PubChem CID 7322271) has the molecular formula C17H24N+ and a molecular weight of 242.39 g/mol. Its IUPAC name is butyl-ethyl-(naphthalen-1-ylmethyl)azanium.

Molecular Properties

Compound Namebutyl-ethyl-(naphthalen-1-ylmethyl)azanium
PubChem CID7322271
Molecular FormulaC17H24N+
Molecular Weight242.39 g/mol
Exact Mass242.19
IUPAC Namebutyl-ethyl-(naphthalen-1-ylmethyl)azanium
SMILESCCCC[NH+](CC)Cc1cccc2ccccc12
InChIInChI=1S/C17H23N/c1-3-5-13-18(4-2)14-16-11-8-10-15-9-6-7-12-17(15)16/h6-12H,3-5,13-14H2,1-2H3/p+1
InChIKeyZHNYVQPVNHESHP-UHFFFAOYSA-O
XLogP3.04
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-butylnaphthalene;ethane
CID 142087052
azane;1-butylnaphthalene;methane
CID 174691035
1-tetradecylnaphthalene
CID 14402128
potassium;hydride;1-octylnaphthalene
CID 173443599
1-ethylnaphthalene;methylcyclopropane
CID 142069670
azane;1-ethylnaphthalene
CID 19048185
methanamine;1-propylnaphthalene
CID 174438724
tributyl(2-naphthalen-1-ylethyl)silane
CID 140900135
sodium;1-ethylnaphthalene;hydride
CID 174300793
1-(hexoxymethyl)naphthalene
CID 18427527
1-pentylnaphthalene;sulfuric acid
CID 172842201
heptane;phenanthrene
CID 157482146

Frequently Asked Questions

What is the IUPAC name of butyl-ethyl-(naphthalen-1-ylmethyl)azanium?
The IUPAC name of butyl-ethyl-(naphthalen-1-ylmethyl)azanium (CID 7322271) is butyl-ethyl-(naphthalen-1-ylmethyl)azanium.
What is the SMILES notation for butyl-ethyl-(naphthalen-1-ylmethyl)azanium?
The canonical SMILES for butyl-ethyl-(naphthalen-1-ylmethyl)azanium is CCCC[NH+](CC)Cc1cccc2ccccc12.
What is the InChIKey of butyl-ethyl-(naphthalen-1-ylmethyl)azanium?
The InChIKey is ZHNYVQPVNHESHP-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H23N/c1-3-5-13-18(4-2)14-16-11-8-10-15-9-6-7-12-17(15)16/h6-12H,3-5,13-14H2,1-2H3/p+1.
What are the key properties of butyl-ethyl-(naphthalen-1-ylmethyl)azanium?
butyl-ethyl-(naphthalen-1-ylmethyl)azanium has a molecular weight of 242.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-ethyl-(naphthalen-1-ylmethyl)azanium is sourced from PubChem (CID 7322271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).