4-amino-N-[2-(2,6-dimethylphenyl)ethyl]pentanamide;hydrochloride

C15H25ClN2O — CID 120562805

IUPAC4-amino-N-[2-(2,6-dimethylphenyl)ethyl]pentanamide;hydrochloride
SMILESCc1cccc(C)c1CCNC(=O)CCC(C)N.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-11-5-4-6-12(2)14(11)9-10-17-15(18)8-7-13(3)16;/h4-6,13H,7-10,16H2,1-3H3,(H,17,18);1H
InChIKeyCQQYRODJSDZSAK-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.51
Rot. Bonds6

About 4-amino-N-[2-(2,6-dimethylphenyl)ethyl]pentanamide;hydrochloride

4-amino-N-[2-(2,6-dimethylphenyl)ethyl]pentanamide;hydrochloride (PubChem CID 120562805) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 4-amino-N-[2-(2,6-dimethylphenyl)ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(2,6-dimethylphenyl)ethyl]pentanamide;hydrochloride
PubChem CID120562805
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name4-amino-N-[2-(2,6-dimethylphenyl)ethyl]pentanamide;hydrochloride
SMILESCc1cccc(C)c1CCNC(=O)CCC(C)N.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-11-5-4-6-12(2)14(11)9-10-17-15(18)8-7-13(3)16;/h4-6,13H,7-10,16H2,1-3H3,(H,17,18);1H
InChIKeyCQQYRODJSDZSAK-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(2,6-dimethylphenyl)ethyl]propanamide
CID 119326216
3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methylbutanamide
CID 120500978
N-[2-(2,6-dimethylphenyl)ethyl]-4-(methylamino)butanamide
CID 119788029
3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119788038
N-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119494888
3-[2-(4-aminopentanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride
CID 120563368
N-[2-(4-aminopentanoylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 120560978
N-(3-aminobutyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
CID 119497235
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 120564313
4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride
CID 120559424
4-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 120565744
(4R)-4-amino-N-propylpentanamide
CID 146234117

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2,6-dimethylphenyl)ethyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-(2,6-dimethylphenyl)ethyl]pentanamide;hydrochloride (CID 120562805) is 4-amino-N-[2-(2,6-dimethylphenyl)ethyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(2,6-dimethylphenyl)ethyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(2,6-dimethylphenyl)ethyl]pentanamide;hydrochloride is Cc1cccc(C)c1CCNC(=O)CCC(C)N.Cl.
What is the InChIKey of 4-amino-N-[2-(2,6-dimethylphenyl)ethyl]pentanamide;hydrochloride?
The InChIKey is CQQYRODJSDZSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.ClH/c1-11-5-4-6-12(2)14(11)9-10-17-15(18)8-7-13(3)16;/h4-6,13H,7-10,16H2,1-3H3,(H,17,18);1H.
What are the key properties of 4-amino-N-[2-(2,6-dimethylphenyl)ethyl]pentanamide;hydrochloride?
4-amino-N-[2-(2,6-dimethylphenyl)ethyl]pentanamide;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2,6-dimethylphenyl)ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 120562805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).