N-(1-aminohexan-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide;dihydrochloride

C13H26Cl2N4O — CID 119665033

IUPACN-(1-aminohexan-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)Cn1nc(C)cc1C.Cl.Cl
InChIInChI=1S/C13H24N4O.2ClH/c1-4-5-6-12(8-14)15-13(18)9-17-11(3)7-10(2)16-17;;/h7,12H,4-6,8-9,14H2,1-3H3,(H,15,18);2*1H
InChIKeyVCFJLVCICZLCRF-UHFFFAOYSA-N
MW325.28 g/mol
LogP1.98
Rot. Bonds7

About N-(1-aminohexan-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide;dihydrochloride

N-(1-aminohexan-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide;dihydrochloride (PubChem CID 119665033) has the molecular formula C13H26Cl2N4O and a molecular weight of 325.28 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide;dihydrochloride
PubChem CID119665033
Molecular FormulaC13H26Cl2N4O
Molecular Weight325.28 g/mol
Exact Mass324.15
IUPAC NameN-(1-aminohexan-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)Cn1nc(C)cc1C.Cl.Cl
InChIInChI=1S/C13H24N4O.2ClH/c1-4-5-6-12(8-14)15-13(18)9-17-11(3)7-10(2)16-17;;/h7,12H,4-6,8-9,14H2,1-3H3,(H,15,18);2*1H
InChIKeyVCFJLVCICZLCRF-UHFFFAOYSA-N
XLogP1.98
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide;dihydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide;dihydrochloride (CID 119665033) is N-(1-aminohexan-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide;dihydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide;dihydrochloride is CCCCC(CN)NC(=O)Cn1nc(C)cc1C.Cl.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide;dihydrochloride?
The InChIKey is VCFJLVCICZLCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O.2ClH/c1-4-5-6-12(8-14)15-13(18)9-17-11(3)7-10(2)16-17;;/h7,12H,4-6,8-9,14H2,1-3H3,(H,15,18);2*1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide;dihydrochloride?
N-(1-aminohexan-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide;dihydrochloride has a molecular weight of 325.28 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide;dihydrochloride is sourced from PubChem (CID 119665033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).