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

C13H30N2O2 — CID 126624588

IUPAC4-[(2-amino-4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)(O)CC(C)(C)NC(C)(N)CC(C)(C)O
InChIInChI=1S/C13H30N2O2/c1-10(2,8-11(3,4)16)15-13(7,14)9-12(5,6)17/h15-17H,8-9,14H2,1-7H3
InChIKeyIJOQAMKXVVPDLW-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.35
Rot. Bonds6

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

4-[(2-amino-4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol (PubChem CID 126624588) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 4-[(2-amino-4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name4-[(2-amino-4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol
PubChem CID126624588
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name4-[(2-amino-4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)(O)CC(C)(C)NC(C)(N)CC(C)(C)O
InChIInChI=1S/C13H30N2O2/c1-10(2,8-11(3,4)16)15-13(7,14)9-12(5,6)17/h15-17H,8-9,14H2,1-7H3
InChIKeyIJOQAMKXVVPDLW-UHFFFAOYSA-N
XLogP1.35
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 4-[(2-amino-4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol (CID 126624588) is 4-[(2-amino-4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 4-[(2-amino-4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 4-[(2-amino-4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol is CC(C)(O)CC(C)(C)NC(C)(N)CC(C)(C)O.
What is the InChIKey of 4-[(2-amino-4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol?
The InChIKey is IJOQAMKXVVPDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-10(2,8-11(3,4)16)15-13(7,14)9-12(5,6)17/h15-17H,8-9,14H2,1-7H3.
What are the key properties of 4-[(2-amino-4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol?
4-[(2-amino-4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol has a molecular weight of 246.39 g/mol, XLogP of 1.35, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 126624588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).