[2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol

C15H27N3O — CID 66129796

IUPAC[2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol
SMILESCCCn1cncc1CNCC1CCCCC1CO
InChIInChI=1S/C15H27N3O/c1-2-7-18-12-17-10-15(18)9-16-8-13-5-3-4-6-14(13)11-19/h10,12-14,16,19H,2-9,11H2,1H3
InChIKeyMAUDFRSEGRUXRR-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.18
Rot. Bonds7

About [2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol

[2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol (PubChem CID 66129796) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is [2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol
PubChem CID66129796
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name[2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol
SMILESCCCn1cncc1CNCC1CCCCC1CO
InChIInChI=1S/C15H27N3O/c1-2-7-18-12-17-10-15(18)9-16-8-13-5-3-4-6-14(13)11-19/h10,12-14,16,19H,2-9,11H2,1H3
InChIKeyMAUDFRSEGRUXRR-UHFFFAOYSA-N
XLogP2.18
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol (CID 66129796) is [2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol is CCCn1cncc1CNCC1CCCCC1CO.
What is the InChIKey of [2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol?
The InChIKey is MAUDFRSEGRUXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-2-7-18-12-17-10-15(18)9-16-8-13-5-3-4-6-14(13)11-19/h10,12-14,16,19H,2-9,11H2,1H3.
What are the key properties of [2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol?
[2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol has a molecular weight of 265.40 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 66129796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).