N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride

C20H33ClN6 — CID 120845181

IUPACN-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
SMILESCc1nn(C(C)C)cc1CN(Cc1nccn1C)C1CC12CCNCC2.Cl
InChIInChI=1S/C20H32N6.ClH/c1-15(2)26-13-17(16(3)23-26)12-25(14-19-22-9-10-24(19)4)18-11-20(18)5-7-21-8-6-20;/h9-10,13,15,18,21H,5-8,11-12,14H2,1-4H3;1H
InChIKeySFWZHDGDZMRQLH-UHFFFAOYSA-N
MW392.98 g/mol
LogP3.07
Rot. Bonds6

About N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride

N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride (PubChem CID 120845181) has the molecular formula C20H33ClN6 and a molecular weight of 392.98 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
PubChem CID120845181
Molecular FormulaC20H33ClN6
Molecular Weight392.98 g/mol
Exact Mass392.25
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
SMILESCc1nn(C(C)C)cc1CN(Cc1nccn1C)C1CC12CCNCC2.Cl
InChIInChI=1S/C20H32N6.ClH/c1-15(2)26-13-17(16(3)23-26)12-25(14-19-22-9-10-24(19)4)18-11-20(18)5-7-21-8-6-20;/h9-10,13,15,18,21H,5-8,11-12,14H2,1-4H3;1H
InChIKeySFWZHDGDZMRQLH-UHFFFAOYSA-N
XLogP3.07
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.98
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride (CID 120845181) is N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride is Cc1nn(C(C)C)cc1CN(Cc1nccn1C)C1CC12CCNCC2.Cl.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?
The InChIKey is SFWZHDGDZMRQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6.ClH/c1-15(2)26-13-17(16(3)23-26)12-25(14-19-22-9-10-24(19)4)18-11-20(18)5-7-21-8-6-20;/h9-10,13,15,18,21H,5-8,11-12,14H2,1-4H3;1H.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?
N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride has a molecular weight of 392.98 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride is sourced from PubChem (CID 120845181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).