5-(4,4,6,6,8,8-hexamethylnon-1-en-2-ylamino)-2,2,4,4-tetramethylpentan-1-ol

C24H49NO — CID 167513339

IUPAC5-(4,4,6,6,8,8-hexamethylnon-1-en-2-ylamino)-2,2,4,4-tetramethylpentan-1-ol
SMILESC=C(CC(C)(C)CC(C)(C)CC(C)(C)C)NCC(C)(C)CC(C)(C)CO
InChIInChI=1S/C24H49NO/c1-19(25-17-23(9,10)16-24(11,12)18-26)13-21(5,6)15-22(7,8)14-20(2,3)4/h25-26H,1,13-18H2,2-12H3
InChIKeyRFZVYJJIWSFIJI-UHFFFAOYSA-N
MW367.66 g/mol
LogP6.79
Rot. Bonds11

About 5-(4,4,6,6,8,8-hexamethylnon-1-en-2-ylamino)-2,2,4,4-tetramethylpentan-1-ol

5-(4,4,6,6,8,8-hexamethylnon-1-en-2-ylamino)-2,2,4,4-tetramethylpentan-1-ol (PubChem CID 167513339) has the molecular formula C24H49NO and a molecular weight of 367.66 g/mol. Its IUPAC name is 5-(4,4,6,6,8,8-hexamethylnon-1-en-2-ylamino)-2,2,4,4-tetramethylpentan-1-ol.

Molecular Properties

Compound Name5-(4,4,6,6,8,8-hexamethylnon-1-en-2-ylamino)-2,2,4,4-tetramethylpentan-1-ol
PubChem CID167513339
Molecular FormulaC24H49NO
Molecular Weight367.66 g/mol
Exact Mass367.38
IUPAC Name5-(4,4,6,6,8,8-hexamethylnon-1-en-2-ylamino)-2,2,4,4-tetramethylpentan-1-ol
SMILESC=C(CC(C)(C)CC(C)(C)CC(C)(C)C)NCC(C)(C)CC(C)(C)CO
InChIInChI=1S/C24H49NO/c1-19(25-17-23(9,10)16-24(11,12)18-26)13-21(5,6)15-22(7,8)14-20(2,3)4/h25-26H,1,13-18H2,2-12H3
InChIKeyRFZVYJJIWSFIJI-UHFFFAOYSA-N
XLogP6.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.66
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(4,4,6,6,8,8-hexamethylnon-1-en-2-ylamino)-2,2,4,4-tetramethylpentan-1-ol with MolForge

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Related Compounds

Ethane;3-[(5-ethyl-5-methylhept-1-en-2-yl)amino]propan-1-ol
CID 145208915
(2S)-4-[[(5-amino-3,3,5-trimethylhex-1-en-2-yl)amino]methyl]-2-methylhex-5-en-1-ol
CID 146359257
2-[(7-But-1-en-2-yl-3-tert-butyl-5,5,6,6,7,9,9-heptamethyldec-1-en-2-yl)amino]ethanol
CID 155347541
Ethane;2-methyl-10-methylidene-11-propylpentadecane;5-(2-methylnonylamino)pentan-1-ol;propane
CID 177148739
Ethane;2,4,4-trimethyl-5-(propylamino)hex-5-en-1-ol
CID 177180640
2,4,4-Trimethyl-5-(propylamino)hex-5-en-1-ol
CID 177180641

Frequently Asked Questions

What is the IUPAC name of 5-(4,4,6,6,8,8-hexamethylnon-1-en-2-ylamino)-2,2,4,4-tetramethylpentan-1-ol?
The IUPAC name of 5-(4,4,6,6,8,8-hexamethylnon-1-en-2-ylamino)-2,2,4,4-tetramethylpentan-1-ol (CID 167513339) is 5-(4,4,6,6,8,8-hexamethylnon-1-en-2-ylamino)-2,2,4,4-tetramethylpentan-1-ol.
What is the SMILES notation for 5-(4,4,6,6,8,8-hexamethylnon-1-en-2-ylamino)-2,2,4,4-tetramethylpentan-1-ol?
The canonical SMILES for 5-(4,4,6,6,8,8-hexamethylnon-1-en-2-ylamino)-2,2,4,4-tetramethylpentan-1-ol is C=C(CC(C)(C)CC(C)(C)CC(C)(C)C)NCC(C)(C)CC(C)(C)CO.
What is the InChIKey of 5-(4,4,6,6,8,8-hexamethylnon-1-en-2-ylamino)-2,2,4,4-tetramethylpentan-1-ol?
The InChIKey is RFZVYJJIWSFIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO/c1-19(25-17-23(9,10)16-24(11,12)18-26)13-21(5,6)15-22(7,8)14-20(2,3)4/h25-26H,1,13-18H2,2-12H3.
What are the key properties of 5-(4,4,6,6,8,8-hexamethylnon-1-en-2-ylamino)-2,2,4,4-tetramethylpentan-1-ol?
5-(4,4,6,6,8,8-hexamethylnon-1-en-2-ylamino)-2,2,4,4-tetramethylpentan-1-ol has a molecular weight of 367.66 g/mol, XLogP of 6.79, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4,6,6,8,8-hexamethylnon-1-en-2-ylamino)-2,2,4,4-tetramethylpentan-1-ol is sourced from PubChem (CID 167513339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).