[1-[(4-imidazol-1-ylbutylamino)methyl]cyclohexyl]methanol

C15H27N3O — CID 81418834

IUPAC[1-[(4-imidazol-1-ylbutylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNCCCCn2ccnc2)CCCCC1
InChIInChI=1S/C15H27N3O/c19-13-15(6-2-1-3-7-15)12-16-8-4-5-10-18-11-9-17-14-18/h9,11,14,16,19H,1-8,10,12-13H2
InChIKeyPYXDULVCKFYMPJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.20
Rot. Bonds8

About [1-[(4-imidazol-1-ylbutylamino)methyl]cyclohexyl]methanol

[1-[(4-imidazol-1-ylbutylamino)methyl]cyclohexyl]methanol (PubChem CID 81418834) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is [1-[(4-imidazol-1-ylbutylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(4-imidazol-1-ylbutylamino)methyl]cyclohexyl]methanol
PubChem CID81418834
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name[1-[(4-imidazol-1-ylbutylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNCCCCn2ccnc2)CCCCC1
InChIInChI=1S/C15H27N3O/c19-13-15(6-2-1-3-7-15)12-16-8-4-5-10-18-11-9-17-14-18/h9,11,14,16,19H,1-8,10,12-13H2
InChIKeyPYXDULVCKFYMPJ-UHFFFAOYSA-N
XLogP2.20
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[(3-imidazol-1-ylpropylamino)methyl]cyclohexyl]methanol
CID 81413326
3-imidazol-1-yl-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 80721869
1-(4-imidazol-1-ylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62097000
N-[(3,3-difluorocyclopentyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 114223797
[1-[(hexylamino)methyl]cyclopentyl]methanol
CID 115358683
4-imidazol-1-ylbutylhydrazine
CID 86114724
[1-[[2-(azepan-1-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81419818
N-but-3-ynyl-4-imidazol-1-ylbutan-1-amine
CID 63656270
4-imidazol-1-yl-N-(piperidin-3-ylmethyl)butan-1-amine
CID 80555259
1-cyclopentyl-3-(4-imidazol-1-ylbutylamino)propan-2-ol
CID 103157604
1-(chloromethyl)-N-(3-imidazol-1-ylpropyl)cyclopentan-1-amine
CID 65025711
[5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-yl]methanol
CID 64580128

Frequently Asked Questions

What is the IUPAC name of [1-[(4-imidazol-1-ylbutylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(4-imidazol-1-ylbutylamino)methyl]cyclohexyl]methanol (CID 81418834) is [1-[(4-imidazol-1-ylbutylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(4-imidazol-1-ylbutylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(4-imidazol-1-ylbutylamino)methyl]cyclohexyl]methanol is OCC1(CNCCCCn2ccnc2)CCCCC1.
What is the InChIKey of [1-[(4-imidazol-1-ylbutylamino)methyl]cyclohexyl]methanol?
The InChIKey is PYXDULVCKFYMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c19-13-15(6-2-1-3-7-15)12-16-8-4-5-10-18-11-9-17-14-18/h9,11,14,16,19H,1-8,10,12-13H2.
What are the key properties of [1-[(4-imidazol-1-ylbutylamino)methyl]cyclohexyl]methanol?
[1-[(4-imidazol-1-ylbutylamino)methyl]cyclohexyl]methanol has a molecular weight of 265.40 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-imidazol-1-ylbutylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 81418834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).