4-methyl-10-(2-methylbutan-2-ylamino)decan-5-ol

C16H35NO — CID 123297413

IUPAC4-methyl-10-(2-methylbutan-2-ylamino)decan-5-ol
SMILESCCCC(C)C(O)CCCCCNC(C)(C)CC
InChIInChI=1S/C16H35NO/c1-6-11-14(3)15(18)12-9-8-10-13-17-16(4,5)7-2/h14-15,17-18H,6-13H2,1-5H3
InChIKeyFWJDXUFXGLVTAH-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.12
Rot. Bonds11

About 4-methyl-10-(2-methylbutan-2-ylamino)decan-5-ol

4-methyl-10-(2-methylbutan-2-ylamino)decan-5-ol (PubChem CID 123297413) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 4-methyl-10-(2-methylbutan-2-ylamino)decan-5-ol.

Molecular Properties

Compound Name4-methyl-10-(2-methylbutan-2-ylamino)decan-5-ol
PubChem CID123297413
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name4-methyl-10-(2-methylbutan-2-ylamino)decan-5-ol
SMILESCCCC(C)C(O)CCCCCNC(C)(C)CC
InChIInChI=1S/C16H35NO/c1-6-11-14(3)15(18)12-9-8-10-13-17-16(4,5)7-2/h14-15,17-18H,6-13H2,1-5H3
InChIKeyFWJDXUFXGLVTAH-UHFFFAOYSA-N
XLogP4.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-10-(2-methylbutan-2-ylamino)decan-5-ol?
The IUPAC name of 4-methyl-10-(2-methylbutan-2-ylamino)decan-5-ol (CID 123297413) is 4-methyl-10-(2-methylbutan-2-ylamino)decan-5-ol.
What is the SMILES notation for 4-methyl-10-(2-methylbutan-2-ylamino)decan-5-ol?
The canonical SMILES for 4-methyl-10-(2-methylbutan-2-ylamino)decan-5-ol is CCCC(C)C(O)CCCCCNC(C)(C)CC.
What is the InChIKey of 4-methyl-10-(2-methylbutan-2-ylamino)decan-5-ol?
The InChIKey is FWJDXUFXGLVTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-6-11-14(3)15(18)12-9-8-10-13-17-16(4,5)7-2/h14-15,17-18H,6-13H2,1-5H3.
What are the key properties of 4-methyl-10-(2-methylbutan-2-ylamino)decan-5-ol?
4-methyl-10-(2-methylbutan-2-ylamino)decan-5-ol has a molecular weight of 257.46 g/mol, XLogP of 4.12, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-10-(2-methylbutan-2-ylamino)decan-5-ol is sourced from PubChem (CID 123297413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).