2-[cyclohex-3-en-1-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol

C14H23N3O — CID 45207556

IUPAC2-[cyclohex-3-en-1-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
SMILESCn1ccnc1CN(CCO)CC1CC=CCC1
InChIInChI=1S/C14H23N3O/c1-16-8-7-15-14(16)12-17(9-10-18)11-13-5-3-2-4-6-13/h2-3,7-8,13,18H,4-6,9-12H2,1H3
InChIKeyOAVHTVWYEJWRSI-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.57
Rot. Bonds6

About 2-[cyclohex-3-en-1-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol

2-[cyclohex-3-en-1-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol (PubChem CID 45207556) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[cyclohex-3-en-1-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclohex-3-en-1-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
PubChem CID45207556
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[cyclohex-3-en-1-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
SMILESCn1ccnc1CN(CCO)CC1CC=CCC1
InChIInChI=1S/C14H23N3O/c1-16-8-7-15-14(16)12-17(9-10-18)11-13-5-3-2-4-6-13/h2-3,7-8,13,18H,4-6,9-12H2,1H3
InChIKeyOAVHTVWYEJWRSI-UHFFFAOYSA-N
XLogP1.57
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[[Methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 53616567
2-[4-[[(1-Ethylimidazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]ethanol
CID 53622462
1-(3,7-Dimethyloct-6-en-1-yl)-1H-imidazole
CID 71367182
(1S)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 95230512
1H-Imidazolium, 1-ethyl-2-(8-heptadecen-1-yl)-3-(2-hydroxyethyl)-, ethyl sulfate (1:1)
CID 16205235
2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazol-1-ium-1-yl]ethanol
CID 16205236
4-(Cyclohex-3-en-1-ylmethylamino)-1,1,1-trifluoro-2-(1-methylimidazol-2-yl)butan-2-ol
CID 112414031
4-[[1-[[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]methyl]imidazol-2-yl]methyl]morpholine
CID 166274514
N-(cyclohex-3-en-1-ylmethyl)-3-imidazol-1-yl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 46981823
(cyclohex-3-en-1-ylmethyl)isopropyl[(1-methyl-1H-imidazol-2-yl)methyl]amine
CID 50951875
2-{4-[(2-cyclohex-3-en-1-yl-1H-imidazol-1-yl)methyl]piperidin-1-yl}ethanol
CID 56710356
N-(2-hydroxyethyl)-N-[(1-methyl-1H-imidazol-2-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 56759916

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohex-3-en-1-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[cyclohex-3-en-1-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol (CID 45207556) is 2-[cyclohex-3-en-1-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclohex-3-en-1-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[cyclohex-3-en-1-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol is Cn1ccnc1CN(CCO)CC1CC=CCC1.
What is the InChIKey of 2-[cyclohex-3-en-1-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The InChIKey is OAVHTVWYEJWRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16-8-7-15-14(16)12-17(9-10-18)11-13-5-3-2-4-6-13/h2-3,7-8,13,18H,4-6,9-12H2,1H3.
What are the key properties of 2-[cyclohex-3-en-1-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
2-[cyclohex-3-en-1-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol has a molecular weight of 249.36 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohex-3-en-1-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 45207556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).