3-[cyclohexylmethyl(1H-imidazol-5-ylmethyl)amino]propan-1-ol

C14H25N3O — CID 118173692

IUPAC3-[cyclohexylmethyl(1H-imidazol-5-ylmethyl)amino]propan-1-ol
SMILESOCCCN(Cc1cnc[nH]1)CC1CCCCC1
InChIInChI=1S/C14H25N3O/c18-8-4-7-17(11-14-9-15-12-16-14)10-13-5-2-1-3-6-13/h9,12-13,18H,1-8,10-11H2,(H,15,16)
InChIKeyFGNYAOMIKDVNNH-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.17
Rot. Bonds7

About 3-[cyclohexylmethyl(1H-imidazol-5-ylmethyl)amino]propan-1-ol

3-[cyclohexylmethyl(1H-imidazol-5-ylmethyl)amino]propan-1-ol (PubChem CID 118173692) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[cyclohexylmethyl(1H-imidazol-5-ylmethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclohexylmethyl(1H-imidazol-5-ylmethyl)amino]propan-1-ol
PubChem CID118173692
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-[cyclohexylmethyl(1H-imidazol-5-ylmethyl)amino]propan-1-ol
SMILESOCCCN(Cc1cnc[nH]1)CC1CCCCC1
InChIInChI=1S/C14H25N3O/c18-8-4-7-17(11-14-9-15-12-16-14)10-13-5-2-1-3-6-13/h9,12-13,18H,1-8,10-11H2,(H,15,16)
InChIKeyFGNYAOMIKDVNNH-UHFFFAOYSA-N
XLogP2.17
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R*,4S*)-1-{[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}-3,4-dimethylpiperidin-4-ol
CID 70775672
(4S*)-1-{[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}-3,3,4-trimethylpiperidin-4-ol
CID 72931447
N-(2-Hydroxyethyl)-N-[(1H-imidazol-5-yl)methyl]-N-methylhexadecan-1-aminium chloride
CID 21144688
1-(1H-Imidazol-4-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-OL
CID 70710432
[(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70722274
1-[1-(1H-imidazol-4-ylmethyl)-4-piperidinyl]-3-methyl-1-butanol
CID 70723789
(4S)-1-(1H-imidazol-4-ylmethyl)-3,3,4-trimethyl-4-piperidinol
CID 72866596
(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol
CID 72910348
[3-[(dimethylamino)methyl]-1-(1H-imidazol-4-ylmethyl)piperidin-3-yl]methanol
CID 77088374
2-[2-hydroxyethyl(1H-imidazol-5-ylmethyl)amino]ethanol
CID 119041987
(1-{[[(2-butyl-1H-imidazol-4-yl)methyl](methyl)amino]methyl}cyclobutyl)methanol
CID 129617737
N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 55109169

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexylmethyl(1H-imidazol-5-ylmethyl)amino]propan-1-ol?
The IUPAC name of 3-[cyclohexylmethyl(1H-imidazol-5-ylmethyl)amino]propan-1-ol (CID 118173692) is 3-[cyclohexylmethyl(1H-imidazol-5-ylmethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[cyclohexylmethyl(1H-imidazol-5-ylmethyl)amino]propan-1-ol?
The canonical SMILES for 3-[cyclohexylmethyl(1H-imidazol-5-ylmethyl)amino]propan-1-ol is OCCCN(Cc1cnc[nH]1)CC1CCCCC1.
What is the InChIKey of 3-[cyclohexylmethyl(1H-imidazol-5-ylmethyl)amino]propan-1-ol?
The InChIKey is FGNYAOMIKDVNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c18-8-4-7-17(11-14-9-15-12-16-14)10-13-5-2-1-3-6-13/h9,12-13,18H,1-8,10-11H2,(H,15,16).
What are the key properties of 3-[cyclohexylmethyl(1H-imidazol-5-ylmethyl)amino]propan-1-ol?
3-[cyclohexylmethyl(1H-imidazol-5-ylmethyl)amino]propan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexylmethyl(1H-imidazol-5-ylmethyl)amino]propan-1-ol is sourced from PubChem (CID 118173692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).