2-(dimethylamino)-2,5,8,8-tetramethylnonan-3-ol

C15H33NO — CID 170212607

IUPAC2-(dimethylamino)-2,5,8,8-tetramethylnonan-3-ol
SMILESCC(CCC(C)(C)C)CC(O)C(C)(C)N(C)C
InChIInChI=1S/C15H33NO/c1-12(9-10-14(2,3)4)11-13(17)15(5,6)16(7)8/h12-13,17H,9-11H2,1-8H3
InChIKeyJPDUAJYRPKWVFW-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.54
Rot. Bonds6

About 2-(dimethylamino)-2,5,8,8-tetramethylnonan-3-ol

2-(dimethylamino)-2,5,8,8-tetramethylnonan-3-ol (PubChem CID 170212607) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 2-(dimethylamino)-2,5,8,8-tetramethylnonan-3-ol.

Molecular Properties

Compound Name2-(dimethylamino)-2,5,8,8-tetramethylnonan-3-ol
PubChem CID170212607
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name2-(dimethylamino)-2,5,8,8-tetramethylnonan-3-ol
SMILESCC(CCC(C)(C)C)CC(O)C(C)(C)N(C)C
InChIInChI=1S/C15H33NO/c1-12(9-10-14(2,3)4)11-13(17)15(5,6)16(7)8/h12-13,17H,9-11H2,1-8H3
InChIKeyJPDUAJYRPKWVFW-UHFFFAOYSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2,5,8,8-tetramethylnonan-3-ol?
The IUPAC name of 2-(dimethylamino)-2,5,8,8-tetramethylnonan-3-ol (CID 170212607) is 2-(dimethylamino)-2,5,8,8-tetramethylnonan-3-ol.
What is the SMILES notation for 2-(dimethylamino)-2,5,8,8-tetramethylnonan-3-ol?
The canonical SMILES for 2-(dimethylamino)-2,5,8,8-tetramethylnonan-3-ol is CC(CCC(C)(C)C)CC(O)C(C)(C)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2,5,8,8-tetramethylnonan-3-ol?
The InChIKey is JPDUAJYRPKWVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-12(9-10-14(2,3)4)11-13(17)15(5,6)16(7)8/h12-13,17H,9-11H2,1-8H3.
What are the key properties of 2-(dimethylamino)-2,5,8,8-tetramethylnonan-3-ol?
2-(dimethylamino)-2,5,8,8-tetramethylnonan-3-ol has a molecular weight of 243.43 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2,5,8,8-tetramethylnonan-3-ol is sourced from PubChem (CID 170212607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).