5-[di(propan-2-yl)amino]hexan-2-ol

C12H27NO — CID 22975510

IUPAC5-[di(propan-2-yl)amino]hexan-2-ol
SMILESCC(O)CCC(C)N(C(C)C)C(C)C
InChIInChI=1S/C12H27NO/c1-9(2)13(10(3)4)11(5)7-8-12(6)14/h9-12,14H,7-8H2,1-6H3
InChIKeyIDOCOQJFBORBPK-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.65
Rot. Bonds6

About 5-[di(propan-2-yl)amino]hexan-2-ol

5-[di(propan-2-yl)amino]hexan-2-ol (PubChem CID 22975510) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 5-[di(propan-2-yl)amino]hexan-2-ol.

Molecular Properties

Compound Name5-[di(propan-2-yl)amino]hexan-2-ol
PubChem CID22975510
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name5-[di(propan-2-yl)amino]hexan-2-ol
SMILESCC(O)CCC(C)N(C(C)C)C(C)C
InChIInChI=1S/C12H27NO/c1-9(2)13(10(3)4)11(5)7-8-12(6)14/h9-12,14H,7-8H2,1-6H3
InChIKeyIDOCOQJFBORBPK-UHFFFAOYSA-N
XLogP2.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[di(propan-2-yl)amino]hexan-2-ol?
The IUPAC name of 5-[di(propan-2-yl)amino]hexan-2-ol (CID 22975510) is 5-[di(propan-2-yl)amino]hexan-2-ol.
What is the SMILES notation for 5-[di(propan-2-yl)amino]hexan-2-ol?
The canonical SMILES for 5-[di(propan-2-yl)amino]hexan-2-ol is CC(O)CCC(C)N(C(C)C)C(C)C.
What is the InChIKey of 5-[di(propan-2-yl)amino]hexan-2-ol?
The InChIKey is IDOCOQJFBORBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-9(2)13(10(3)4)11(5)7-8-12(6)14/h9-12,14H,7-8H2,1-6H3.
What are the key properties of 5-[di(propan-2-yl)amino]hexan-2-ol?
5-[di(propan-2-yl)amino]hexan-2-ol has a molecular weight of 201.35 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[di(propan-2-yl)amino]hexan-2-ol is sourced from PubChem (CID 22975510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).