4-[(1-amino-4-methoxy-4-methylpentan-2-yl)amino]pentan-2-ol

C12H28N2O2 — CID 106675799

IUPAC4-[(1-amino-4-methoxy-4-methylpentan-2-yl)amino]pentan-2-ol
SMILESCOC(C)(C)CC(CN)NC(C)CC(C)O
InChIInChI=1S/C12H28N2O2/c1-9(6-10(2)15)14-11(8-13)7-12(3,4)16-5/h9-11,14-15H,6-8,13H2,1-5H3
InChIKeyYYVGCUQXUTXFQJ-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.88
Rot. Bonds8

About 4-[(1-amino-4-methoxy-4-methylpentan-2-yl)amino]pentan-2-ol

4-[(1-amino-4-methoxy-4-methylpentan-2-yl)amino]pentan-2-ol (PubChem CID 106675799) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-[(1-amino-4-methoxy-4-methylpentan-2-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name4-[(1-amino-4-methoxy-4-methylpentan-2-yl)amino]pentan-2-ol
PubChem CID106675799
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name4-[(1-amino-4-methoxy-4-methylpentan-2-yl)amino]pentan-2-ol
SMILESCOC(C)(C)CC(CN)NC(C)CC(C)O
InChIInChI=1S/C12H28N2O2/c1-9(6-10(2)15)14-11(8-13)7-12(3,4)16-5/h9-11,14-15H,6-8,13H2,1-5H3
InChIKeyYYVGCUQXUTXFQJ-UHFFFAOYSA-N
XLogP0.88
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-4-methoxy-4-methylpentan-2-yl)amino]pentan-2-ol?
The IUPAC name of 4-[(1-amino-4-methoxy-4-methylpentan-2-yl)amino]pentan-2-ol (CID 106675799) is 4-[(1-amino-4-methoxy-4-methylpentan-2-yl)amino]pentan-2-ol.
What is the SMILES notation for 4-[(1-amino-4-methoxy-4-methylpentan-2-yl)amino]pentan-2-ol?
The canonical SMILES for 4-[(1-amino-4-methoxy-4-methylpentan-2-yl)amino]pentan-2-ol is COC(C)(C)CC(CN)NC(C)CC(C)O.
What is the InChIKey of 4-[(1-amino-4-methoxy-4-methylpentan-2-yl)amino]pentan-2-ol?
The InChIKey is YYVGCUQXUTXFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-9(6-10(2)15)14-11(8-13)7-12(3,4)16-5/h9-11,14-15H,6-8,13H2,1-5H3.
What are the key properties of 4-[(1-amino-4-methoxy-4-methylpentan-2-yl)amino]pentan-2-ol?
4-[(1-amino-4-methoxy-4-methylpentan-2-yl)amino]pentan-2-ol has a molecular weight of 232.37 g/mol, XLogP of 0.88, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-4-methoxy-4-methylpentan-2-yl)amino]pentan-2-ol is sourced from PubChem (CID 106675799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).