N,N-dimethyl-2-[2-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazol-1-yl]ethanamine

C17H26N6 — CID 97211142

IUPACN,N-dimethyl-2-[2-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazol-1-yl]ethanamine
SMILESCc1ccc(N2CCC[C@@H](c3nccn3CCN(C)C)C2)nn1
InChIInChI=1S/C17H26N6/c1-14-6-7-16(20-19-14)23-9-4-5-15(13-23)17-18-8-10-22(17)12-11-21(2)3/h6-8,10,15H,4-5,9,11-13H2,1-3H3/t15-/m1/s1
InChIKeyPURLFWZWOHGTLN-OAHLLOKOSA-N
MW314.44 g/mol
LogP1.93
Rot. Bonds5

About N,N-dimethyl-2-[2-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazol-1-yl]ethanamine

N,N-dimethyl-2-[2-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazol-1-yl]ethanamine (PubChem CID 97211142) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazol-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazol-1-yl]ethanamine
PubChem CID97211142
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC NameN,N-dimethyl-2-[2-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazol-1-yl]ethanamine
SMILESCc1ccc(N2CCC[C@@H](c3nccn3CCN(C)C)C2)nn1
InChIInChI=1S/C17H26N6/c1-14-6-7-16(20-19-14)23-9-4-5-15(13-23)17-18-8-10-22(17)12-11-21(2)3/h6-8,10,15H,4-5,9,11-13H2,1-3H3/t15-/m1/s1
InChIKeyPURLFWZWOHGTLN-OAHLLOKOSA-N
XLogP1.93
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazol-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazol-1-yl]ethanamine (CID 97211142) is N,N-dimethyl-2-[2-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazol-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazol-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazol-1-yl]ethanamine is Cc1ccc(N2CCC[C@@H](c3nccn3CCN(C)C)C2)nn1.
What is the InChIKey of N,N-dimethyl-2-[2-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazol-1-yl]ethanamine?
The InChIKey is PURLFWZWOHGTLN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N6/c1-14-6-7-16(20-19-14)23-9-4-5-15(13-23)17-18-8-10-22(17)12-11-21(2)3/h6-8,10,15H,4-5,9,11-13H2,1-3H3/t15-/m1/s1.
What are the key properties of N,N-dimethyl-2-[2-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazol-1-yl]ethanamine?
N,N-dimethyl-2-[2-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazol-1-yl]ethanamine has a molecular weight of 314.44 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazol-1-yl]ethanamine is sourced from PubChem (CID 97211142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).