(6S)-2,6-dimethyl-8-[3-(2-methylimidazol-1-yl)propylamino]octan-2-ol

C17H33N3O — CID 92861415

IUPAC(6S)-2,6-dimethyl-8-[3-(2-methylimidazol-1-yl)propylamino]octan-2-ol
SMILESCc1nccn1CCCNCC[C@@H](C)CCCC(C)(C)O
InChIInChI=1S/C17H33N3O/c1-15(7-5-9-17(3,4)21)8-11-18-10-6-13-20-14-12-19-16(20)2/h12,14-15,18,21H,5-11,13H2,1-4H3/t15-/m0/s1
InChIKeySAFBJMPFHZSTAL-HNNXBMFYSA-N
MW295.47 g/mol
LogP3.14
Rot. Bonds11

About (6S)-2,6-dimethyl-8-[3-(2-methylimidazol-1-yl)propylamino]octan-2-ol

(6S)-2,6-dimethyl-8-[3-(2-methylimidazol-1-yl)propylamino]octan-2-ol (PubChem CID 92861415) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is (6S)-2,6-dimethyl-8-[3-(2-methylimidazol-1-yl)propylamino]octan-2-ol.

Molecular Properties

Compound Name(6S)-2,6-dimethyl-8-[3-(2-methylimidazol-1-yl)propylamino]octan-2-ol
PubChem CID92861415
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name(6S)-2,6-dimethyl-8-[3-(2-methylimidazol-1-yl)propylamino]octan-2-ol
SMILESCc1nccn1CCCNCC[C@@H](C)CCCC(C)(C)O
InChIInChI=1S/C17H33N3O/c1-15(7-5-9-17(3,4)21)8-11-18-10-6-13-20-14-12-19-16(20)2/h12,14-15,18,21H,5-11,13H2,1-4H3/t15-/m0/s1
InChIKeySAFBJMPFHZSTAL-HNNXBMFYSA-N
XLogP3.14
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.14
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

2-methyl-5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol
CID 106160254
2-methyl-1-(4-methylpentyl)imidazole
CID 20811797
ethane;N'-[3-(2-methylimidazol-1-yl)propyl]methanediamine
CID 155737124
2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 61493565
5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol
CID 107317411
3-(2-methylimidazol-1-yl)propylhydrazine
CID 123546273
2-methyl-1-(5-methylhexyl)imidazole
CID 166170762
1-(5,5-dimethylhexyl)-2-methylimidazole
CID 168848889
5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 107319925
N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 61492853
N-[2-(2-methylimidazol-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine
CID 114136882
2-methyl-1-(6-methylheptyl)imidazole
CID 176869626

Frequently Asked Questions

What is the IUPAC name of (6S)-2,6-dimethyl-8-[3-(2-methylimidazol-1-yl)propylamino]octan-2-ol?
The IUPAC name of (6S)-2,6-dimethyl-8-[3-(2-methylimidazol-1-yl)propylamino]octan-2-ol (CID 92861415) is (6S)-2,6-dimethyl-8-[3-(2-methylimidazol-1-yl)propylamino]octan-2-ol.
What is the SMILES notation for (6S)-2,6-dimethyl-8-[3-(2-methylimidazol-1-yl)propylamino]octan-2-ol?
The canonical SMILES for (6S)-2,6-dimethyl-8-[3-(2-methylimidazol-1-yl)propylamino]octan-2-ol is Cc1nccn1CCCNCC[C@@H](C)CCCC(C)(C)O.
What is the InChIKey of (6S)-2,6-dimethyl-8-[3-(2-methylimidazol-1-yl)propylamino]octan-2-ol?
The InChIKey is SAFBJMPFHZSTAL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-15(7-5-9-17(3,4)21)8-11-18-10-6-13-20-14-12-19-16(20)2/h12,14-15,18,21H,5-11,13H2,1-4H3/t15-/m0/s1.
What are the key properties of (6S)-2,6-dimethyl-8-[3-(2-methylimidazol-1-yl)propylamino]octan-2-ol?
(6S)-2,6-dimethyl-8-[3-(2-methylimidazol-1-yl)propylamino]octan-2-ol has a molecular weight of 295.47 g/mol, XLogP of 3.14, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,6-dimethyl-8-[3-(2-methylimidazol-1-yl)propylamino]octan-2-ol is sourced from PubChem (CID 92861415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).