[1-[(3-imidazol-1-ylpropylamino)methyl]cyclohexyl]methanol

C14H25N3O — CID 81413326

IUPAC[1-[(3-imidazol-1-ylpropylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNCCCn2ccnc2)CCCCC1
InChIInChI=1S/C14H25N3O/c18-12-14(5-2-1-3-6-14)11-15-7-4-9-17-10-8-16-13-17/h8,10,13,15,18H,1-7,9,11-12H2
InChIKeySNFCYVPZELFAHX-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.81
Rot. Bonds7

About [1-[(3-imidazol-1-ylpropylamino)methyl]cyclohexyl]methanol

[1-[(3-imidazol-1-ylpropylamino)methyl]cyclohexyl]methanol (PubChem CID 81413326) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is [1-[(3-imidazol-1-ylpropylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3-imidazol-1-ylpropylamino)methyl]cyclohexyl]methanol
PubChem CID81413326
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name[1-[(3-imidazol-1-ylpropylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNCCCn2ccnc2)CCCCC1
InChIInChI=1S/C14H25N3O/c18-12-14(5-2-1-3-6-14)11-15-7-4-9-17-10-8-16-13-17/h8,10,13,15,18H,1-7,9,11-12H2
InChIKeySNFCYVPZELFAHX-UHFFFAOYSA-N
XLogP1.81
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.81
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-[(4-imidazol-1-ylbutylamino)methyl]cyclohexyl]methanol
CID 81418834
3-imidazol-1-yl-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 80721869
1-(chloromethyl)-N-(3-imidazol-1-ylpropyl)cyclopentan-1-amine
CID 65025711
3-cyclopentyl-N-(3-imidazol-1-ylpropyl)propan-1-amine
CID 114136924
N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine
CID 53216159
[1-[[2-(azepan-1-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81419818
(3-imidazol-1-ylpropylamino)methyl formate
CID 142974102
3-(3-imidazol-1-ylpropylamino)-2-methylpropane-1,2-diol
CID 66186936
[5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-yl]methanol
CID 64580128
1-(3-imidazol-1-ylpropyl)-2-methyl-3-[(1-piperidin-1-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111292346
N-(2,2-difluoroethyl)-3-imidazol-1-ylpropan-1-amine
CID 115406678
N-[(3-chlorocyclohexyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 106122739

Frequently Asked Questions

What is the IUPAC name of [1-[(3-imidazol-1-ylpropylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(3-imidazol-1-ylpropylamino)methyl]cyclohexyl]methanol (CID 81413326) is [1-[(3-imidazol-1-ylpropylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(3-imidazol-1-ylpropylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(3-imidazol-1-ylpropylamino)methyl]cyclohexyl]methanol is OCC1(CNCCCn2ccnc2)CCCCC1.
What is the InChIKey of [1-[(3-imidazol-1-ylpropylamino)methyl]cyclohexyl]methanol?
The InChIKey is SNFCYVPZELFAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c18-12-14(5-2-1-3-6-14)11-15-7-4-9-17-10-8-16-13-17/h8,10,13,15,18H,1-7,9,11-12H2.
What are the key properties of [1-[(3-imidazol-1-ylpropylamino)methyl]cyclohexyl]methanol?
[1-[(3-imidazol-1-ylpropylamino)methyl]cyclohexyl]methanol has a molecular weight of 251.37 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-imidazol-1-ylpropylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 81413326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).