2,2-dipropylpentanediamide;hydrochloride

C11H23ClN2O2 — CID 174451437

IUPAC2,2-dipropylpentanediamide;hydrochloride
SMILESCCCC(CCC)(CCC(N)=O)C(N)=O.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-3-6-11(7-4-2,10(13)15)8-5-9(12)14;/h3-8H2,1-2H3,(H2,12,14)(H2,13,15);1H
InChIKeyRLXJEBLQUOYSTA-UHFFFAOYSA-N
MW250.77 g/mol
LogP1.75
Rot. Bonds8

About 2,2-dipropylpentanediamide;hydrochloride

2,2-dipropylpentanediamide;hydrochloride (PubChem CID 174451437) has the molecular formula C11H23ClN2O2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 2,2-dipropylpentanediamide;hydrochloride.

Molecular Properties

Compound Name2,2-dipropylpentanediamide;hydrochloride
PubChem CID174451437
Molecular FormulaC11H23ClN2O2
Molecular Weight250.77 g/mol
Exact Mass250.14
IUPAC Name2,2-dipropylpentanediamide;hydrochloride
SMILESCCCC(CCC)(CCC(N)=O)C(N)=O.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-3-6-11(7-4-2,10(13)15)8-5-9(12)14;/h3-8H2,1-2H3,(H2,12,14)(H2,13,15);1H
InChIKeyRLXJEBLQUOYSTA-UHFFFAOYSA-N
XLogP1.75
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(2-hydroxyethyl)-2-propylpentanamide;3-(hydroxymethyl)-3-propylhexanamide
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2,2,3,3-tetrabutylhexanediamide
CID 18792229
4,4-dimethylpentanamide;hydrochloride
CID 141202343
2-icosyl-2-pentyldocosanamide
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4-butyl-4-hydroxyoctanamide
CID 139781323
butanamide;dihydrobromide
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CID 158833027
CID 158833027
octadecanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2,2-dipropylpentanediamide;hydrochloride?
The IUPAC name of 2,2-dipropylpentanediamide;hydrochloride (CID 174451437) is 2,2-dipropylpentanediamide;hydrochloride.
What is the SMILES notation for 2,2-dipropylpentanediamide;hydrochloride?
The canonical SMILES for 2,2-dipropylpentanediamide;hydrochloride is CCCC(CCC)(CCC(N)=O)C(N)=O.Cl.
What is the InChIKey of 2,2-dipropylpentanediamide;hydrochloride?
The InChIKey is RLXJEBLQUOYSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.ClH/c1-3-6-11(7-4-2,10(13)15)8-5-9(12)14;/h3-8H2,1-2H3,(H2,12,14)(H2,13,15);1H.
What are the key properties of 2,2-dipropylpentanediamide;hydrochloride?
2,2-dipropylpentanediamide;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dipropylpentanediamide;hydrochloride is sourced from PubChem (CID 174451437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).