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

C15H25N3O — CID 66140605

IUPAC[2-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol
SMILESOCC1CCCCC1CNCc1cncn1C1CC1
InChIInChI=1S/C15H25N3O/c19-10-13-4-2-1-3-12(13)7-16-8-15-9-17-11-18(15)14-5-6-14/h9,11-14,16,19H,1-8,10H2
InChIKeyMQWJBKOBWSLXEP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.11
Rot. Bonds6

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

[2-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol (PubChem CID 66140605) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is [2-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol
PubChem CID66140605
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name[2-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol
SMILESOCC1CCCCC1CNCc1cncn1C1CC1
InChIInChI=1S/C15H25N3O/c19-10-13-4-2-1-3-12(13)7-16-8-15-9-17-11-18(15)14-5-6-14/h9,11-14,16,19H,1-8,10H2
InChIKeyMQWJBKOBWSLXEP-UHFFFAOYSA-N
XLogP2.11
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [2-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol (CID 66140605) is [2-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol is OCC1CCCCC1CNCc1cncn1C1CC1.
What is the InChIKey of [2-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol?
The InChIKey is MQWJBKOBWSLXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c19-10-13-4-2-1-3-12(13)7-16-8-15-9-17-11-18(15)14-5-6-14/h9,11-14,16,19H,1-8,10H2.
What are the key properties of [2-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol?
[2-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol has a molecular weight of 263.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 66140605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).