2-(dimethylamino)-2,4-dimethylpentan-3-ol

C9H21NO — CID 79047510

IUPAC2-(dimethylamino)-2,4-dimethylpentan-3-ol
SMILESCC(C)C(O)C(C)(C)N(C)C
InChIInChI=1S/C9H21NO/c1-7(2)8(11)9(3,4)10(5)6/h7-8,11H,1-6H3
InChIKeyKFHGVPGLEKIING-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.34
Rot. Bonds3

About 2-(dimethylamino)-2,4-dimethylpentan-3-ol

2-(dimethylamino)-2,4-dimethylpentan-3-ol (PubChem CID 79047510) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-(dimethylamino)-2,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name2-(dimethylamino)-2,4-dimethylpentan-3-ol
PubChem CID79047510
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-(dimethylamino)-2,4-dimethylpentan-3-ol
SMILESCC(C)C(O)C(C)(C)N(C)C
InChIInChI=1S/C9H21NO/c1-7(2)8(11)9(3,4)10(5)6/h7-8,11H,1-6H3
InChIKeyKFHGVPGLEKIING-UHFFFAOYSA-N
XLogP1.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2,4-dimethylpentan-3-ol?
The IUPAC name of 2-(dimethylamino)-2,4-dimethylpentan-3-ol (CID 79047510) is 2-(dimethylamino)-2,4-dimethylpentan-3-ol.
What is the SMILES notation for 2-(dimethylamino)-2,4-dimethylpentan-3-ol?
The canonical SMILES for 2-(dimethylamino)-2,4-dimethylpentan-3-ol is CC(C)C(O)C(C)(C)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2,4-dimethylpentan-3-ol?
The InChIKey is KFHGVPGLEKIING-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-7(2)8(11)9(3,4)10(5)6/h7-8,11H,1-6H3.
What are the key properties of 2-(dimethylamino)-2,4-dimethylpentan-3-ol?
2-(dimethylamino)-2,4-dimethylpentan-3-ol has a molecular weight of 159.27 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2,4-dimethylpentan-3-ol is sourced from PubChem (CID 79047510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).