1-[(5S)-5-ethyl-8,8-dimethylnonyl]imidazole

C16H30N2 — CID 118887732

IUPAC1-[(5S)-5-ethyl-8,8-dimethylnonyl]imidazole
SMILESCC[C@@H](CCCCn1ccnc1)CCC(C)(C)C
InChIInChI=1S/C16H30N2/c1-5-15(9-10-16(2,3)4)8-6-7-12-18-13-11-17-14-18/h11,13-15H,5-10,12H2,1-4H3/t15-/m0/s1
InChIKeyPVMVZNDDOVOUQO-HNNXBMFYSA-N
MW250.43 g/mol
LogP4.91
Rot. Bonds8

About 1-[(5S)-5-ethyl-8,8-dimethylnonyl]imidazole

1-[(5S)-5-ethyl-8,8-dimethylnonyl]imidazole (PubChem CID 118887732) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-[(5S)-5-ethyl-8,8-dimethylnonyl]imidazole.

Molecular Properties

Compound Name1-[(5S)-5-ethyl-8,8-dimethylnonyl]imidazole
PubChem CID118887732
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-[(5S)-5-ethyl-8,8-dimethylnonyl]imidazole
SMILESCC[C@@H](CCCCn1ccnc1)CCC(C)(C)C
InChIInChI=1S/C16H30N2/c1-5-15(9-10-16(2,3)4)8-6-7-12-18-13-11-17-14-18/h11,13-15H,5-10,12H2,1-4H3/t15-/m0/s1
InChIKeyPVMVZNDDOVOUQO-HNNXBMFYSA-N
XLogP4.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(11,11-dimethyldodecyl)imidazole
CID 118887404
2-(4-imidazol-1-ylbutyl)heptan-1-ol
CID 174409520
2-ethyl-N-(3-imidazol-1-ylpropyl)hexan-1-amine
CID 114004575
1-(7-methyloctyl)imidazole
CID 59001100
1-[14-(3,3-dimethylbutoxy)tetradecyl]imidazole
CID 126578367
(5S)-1-imidazol-1-yldecan-5-ol
CID 118890121
(5R)-1-imidazol-1-ylnonan-5-ol
CID 118889923
6-imidazol-1-ylhexan-3-ol
CID 106802503
(5R)-10-imidazol-1-yldecan-5-ol
CID 118889895
1-(2-ethyltridecyl)imidazole;hydrochloride
CID 175493455
1-[(5R)-5-methoxydecyl]imidazole
CID 118890185
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442

Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-5-ethyl-8,8-dimethylnonyl]imidazole?
The IUPAC name of 1-[(5S)-5-ethyl-8,8-dimethylnonyl]imidazole (CID 118887732) is 1-[(5S)-5-ethyl-8,8-dimethylnonyl]imidazole.
What is the SMILES notation for 1-[(5S)-5-ethyl-8,8-dimethylnonyl]imidazole?
The canonical SMILES for 1-[(5S)-5-ethyl-8,8-dimethylnonyl]imidazole is CC[C@@H](CCCCn1ccnc1)CCC(C)(C)C.
What is the InChIKey of 1-[(5S)-5-ethyl-8,8-dimethylnonyl]imidazole?
The InChIKey is PVMVZNDDOVOUQO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H30N2/c1-5-15(9-10-16(2,3)4)8-6-7-12-18-13-11-17-14-18/h11,13-15H,5-10,12H2,1-4H3/t15-/m0/s1.
What are the key properties of 1-[(5S)-5-ethyl-8,8-dimethylnonyl]imidazole?
1-[(5S)-5-ethyl-8,8-dimethylnonyl]imidazole has a molecular weight of 250.43 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-5-ethyl-8,8-dimethylnonyl]imidazole is sourced from PubChem (CID 118887732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).