1-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclohexane-1,3-diamine

C15H21N5 — CID 79459446

IUPAC1-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclohexane-1,3-diamine
SMILESCc1nccn1-c1ccc(NC2CCCC(N)C2)cn1
InChIInChI=1S/C15H21N5/c1-11-17-7-8-20(11)15-6-5-14(10-18-15)19-13-4-2-3-12(16)9-13/h5-8,10,12-13,19H,2-4,9,16H2,1H3
InChIKeyHHULUVLIHZVEJG-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.26
Rot. Bonds3

About 1-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclohexane-1,3-diamine

1-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclohexane-1,3-diamine (PubChem CID 79459446) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 1-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclohexane-1,3-diamine
PubChem CID79459446
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name1-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclohexane-1,3-diamine
SMILESCc1nccn1-c1ccc(NC2CCCC(N)C2)cn1
InChIInChI=1S/C15H21N5/c1-11-17-7-8-20(11)15-6-5-14(10-18-15)19-13-4-2-3-12(16)9-13/h5-8,10,12-13,19H,2-4,9,16H2,1H3
InChIKeyHHULUVLIHZVEJG-UHFFFAOYSA-N
XLogP2.26
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclohexane-1,3-diamine?
The IUPAC name of 1-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclohexane-1,3-diamine (CID 79459446) is 1-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclohexane-1,3-diamine is Cc1nccn1-c1ccc(NC2CCCC(N)C2)cn1.
What is the InChIKey of 1-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclohexane-1,3-diamine?
The InChIKey is HHULUVLIHZVEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11-17-7-8-20(11)15-6-5-14(10-18-15)19-13-4-2-3-12(16)9-13/h5-8,10,12-13,19H,2-4,9,16H2,1H3.
What are the key properties of 1-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclohexane-1,3-diamine?
1-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclohexane-1,3-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclohexane-1,3-diamine is sourced from PubChem (CID 79459446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).