4-[2,6-di(propan-2-yl)anilino]pentan-2-ol

C17H29NO — CID 5246283

IUPAC4-[2,6-di(propan-2-yl)anilino]pentan-2-ol
SMILESCC(O)CC(C)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C17H29NO/c1-11(2)15-8-7-9-16(12(3)4)17(15)18-13(5)10-14(6)19/h7-9,11-14,18-19H,10H2,1-6H3
InChIKeyDHHAMOOWGFAFNJ-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.50
Rot. Bonds6

About 4-[2,6-di(propan-2-yl)anilino]pentan-2-ol

4-[2,6-di(propan-2-yl)anilino]pentan-2-ol (PubChem CID 5246283) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-[2,6-di(propan-2-yl)anilino]pentan-2-ol.

Molecular Properties

Compound Name4-[2,6-di(propan-2-yl)anilino]pentan-2-ol
PubChem CID5246283
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name4-[2,6-di(propan-2-yl)anilino]pentan-2-ol
SMILESCC(O)CC(C)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C17H29NO/c1-11(2)15-8-7-9-16(12(3)4)17(15)18-13(5)10-14(6)19/h7-9,11-14,18-19H,10H2,1-6H3
InChIKeyDHHAMOOWGFAFNJ-UHFFFAOYSA-N
XLogP4.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2,6-di(propan-2-yl)anilino]pentan-2-ol?
The IUPAC name of 4-[2,6-di(propan-2-yl)anilino]pentan-2-ol (CID 5246283) is 4-[2,6-di(propan-2-yl)anilino]pentan-2-ol.
What is the SMILES notation for 4-[2,6-di(propan-2-yl)anilino]pentan-2-ol?
The canonical SMILES for 4-[2,6-di(propan-2-yl)anilino]pentan-2-ol is CC(O)CC(C)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 4-[2,6-di(propan-2-yl)anilino]pentan-2-ol?
The InChIKey is DHHAMOOWGFAFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-11(2)15-8-7-9-16(12(3)4)17(15)18-13(5)10-14(6)19/h7-9,11-14,18-19H,10H2,1-6H3.
What are the key properties of 4-[2,6-di(propan-2-yl)anilino]pentan-2-ol?
4-[2,6-di(propan-2-yl)anilino]pentan-2-ol has a molecular weight of 263.43 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-di(propan-2-yl)anilino]pentan-2-ol is sourced from PubChem (CID 5246283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).