3-methyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol

C13H23N3O — CID 63934338

IUPAC3-methyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1ncc(CNCC2(O)CCCC(C)C2)[nH]1
InChIInChI=1S/C13H23N3O/c1-10-4-3-5-13(17,6-10)9-14-7-12-8-15-11(2)16-12/h8,10,14,17H,3-7,9H2,1-2H3,(H,15,16)
InChIKeyOPJDPJFIPLTQOX-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.75
Rot. Bonds4

About 3-methyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol

3-methyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 63934338) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-methyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID63934338
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-methyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1ncc(CNCC2(O)CCCC(C)C2)[nH]1
InChIInChI=1S/C13H23N3O/c1-10-4-3-5-13(17,6-10)9-14-7-12-8-15-11(2)16-12/h8,10,14,17H,3-7,9H2,1-2H3,(H,15,16)
InChIKeyOPJDPJFIPLTQOX-UHFFFAOYSA-N
XLogP1.75
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol (CID 63934338) is 3-methyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol is Cc1ncc(CNCC2(O)CCCC(C)C2)[nH]1.
What is the InChIKey of 3-methyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is OPJDPJFIPLTQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-4-3-5-13(17,6-10)9-14-7-12-8-15-11(2)16-12/h8,10,14,17H,3-7,9H2,1-2H3,(H,15,16).
What are the key properties of 3-methyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
3-methyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 63934338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).