2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-1-ylpentanoic acid;hydrochloride

C20H28ClNO2 — CID 134105469

IUPAC2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-1-ylpentanoic acid;hydrochloride
SMILESCCC(C)C(CCN(C)C)(C(=O)O)c1cccc2ccccc12.Cl
InChIInChI=1S/C20H27NO2.ClH/c1-5-15(2)20(19(22)23,13-14-21(3)4)18-12-8-10-16-9-6-7-11-17(16)18;/h6-12,15H,5,13-14H2,1-4H3,(H,22,23);1H
InChIKeyBEXXJRJGDYLPNM-UHFFFAOYSA-N
MW349.90 g/mol
LogP4.58
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-1-ylpentanoic acid;hydrochloride

2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-1-ylpentanoic acid;hydrochloride (PubChem CID 134105469) has the molecular formula C20H28ClNO2 and a molecular weight of 349.90 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-1-ylpentanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-1-ylpentanoic acid;hydrochloride
PubChem CID134105469
Molecular FormulaC20H28ClNO2
Molecular Weight349.90 g/mol
Exact Mass349.18
IUPAC Name2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-1-ylpentanoic acid;hydrochloride
SMILESCCC(C)C(CCN(C)C)(C(=O)O)c1cccc2ccccc12.Cl
InChIInChI=1S/C20H27NO2.ClH/c1-5-15(2)20(19(22)23,13-14-21(3)4)18-12-8-10-16-9-6-7-11-17(16)18;/h6-12,15H,5,13-14H2,1-4H3,(H,22,23);1H
InChIKeyBEXXJRJGDYLPNM-UHFFFAOYSA-N
XLogP4.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.90
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-carboxy-4-methyl-3-naphthalen-1-ylhexyl)-dimethylazanium chloride
CID 23145
2-[2-(diethylamino)ethyl]-3-methyl-2-naphthalen-1-ylbutanoic acid;hydrochloride
CID 138400958
6-(dimethylamino)-2-naphthalen-1-yl-2-propan-2-ylhexanoic acid
CID 23153
(2S)-2-[(2S)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine
CID 125480001
(2R)-2-[(2S)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine
CID 125480002
3-methyl-2-(1-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanoic acid;hydrochloride
CID 20978089
(2S)-2-ethyl-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine
CID 125479768
2-[acetyl(ethyl)amino]-2-naphthalen-1-ylpropanoic acid
CID 63701697
(2R)-2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylpentanenitrile
CID 125482749
5-morpholin-4-yl-2-naphthalen-1-yl-2-propan-2-ylpentanoic acid
CID 23025
3-hydroxy-3-naphthalen-1-ylbutanoic acid
CID 598604
(2S)-2-cyano-4-(dimethylamino)-2-[(S)-(2-methoxyphenyl)-naphthalen-1-ylmethyl]butanoic acid
CID 69134133

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-1-ylpentanoic acid;hydrochloride?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-1-ylpentanoic acid;hydrochloride (CID 134105469) is 2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-1-ylpentanoic acid;hydrochloride.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-1-ylpentanoic acid;hydrochloride?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-1-ylpentanoic acid;hydrochloride is CCC(C)C(CCN(C)C)(C(=O)O)c1cccc2ccccc12.Cl.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-1-ylpentanoic acid;hydrochloride?
The InChIKey is BEXXJRJGDYLPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2.ClH/c1-5-15(2)20(19(22)23,13-14-21(3)4)18-12-8-10-16-9-6-7-11-17(16)18;/h6-12,15H,5,13-14H2,1-4H3,(H,22,23);1H.
What are the key properties of 2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-1-ylpentanoic acid;hydrochloride?
2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-1-ylpentanoic acid;hydrochloride has a molecular weight of 349.90 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-1-ylpentanoic acid;hydrochloride is sourced from PubChem (CID 134105469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).