4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol

C14H31NO2 — CID 146799424

IUPAC4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)(O)CC(C)(C)NC(C)(C)CC(C)(C)O
InChIInChI=1S/C14H31NO2/c1-11(2,9-13(5,6)16)15-12(3,4)10-14(7,8)17/h15-17H,9-10H2,1-8H3
InChIKeyRXPHIEAWGCWNCS-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.46
Rot. Bonds6

About 4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol

4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol (PubChem CID 146799424) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol
PubChem CID146799424
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)(O)CC(C)(C)NC(C)(C)CC(C)(C)O
InChIInChI=1S/C14H31NO2/c1-11(2,9-13(5,6)16)15-12(3,4)10-14(7,8)17/h15-17H,9-10H2,1-8H3
InChIKeyRXPHIEAWGCWNCS-UHFFFAOYSA-N
XLogP2.46
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol (CID 146799424) is 4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol is CC(C)(O)CC(C)(C)NC(C)(C)CC(C)(C)O.
What is the InChIKey of 4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol?
The InChIKey is RXPHIEAWGCWNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-11(2,9-13(5,6)16)15-12(3,4)10-14(7,8)17/h15-17H,9-10H2,1-8H3.
What are the key properties of 4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol?
4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol has a molecular weight of 245.41 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 146799424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).