1-(1,4-diamino-2-methylbutan-2-yl)oxy-3-methylpentan-3-ol

C11H26N2O2 — CID 148960740

IUPAC1-(1,4-diamino-2-methylbutan-2-yl)oxy-3-methylpentan-3-ol
SMILESCCC(C)(O)CCOC(C)(CN)CCN
InChIInChI=1S/C11H26N2O2/c1-4-10(2,14)6-8-15-11(3,9-13)5-7-12/h14H,4-9,12-13H2,1-3H3
InChIKeyPRTODFBSKVXONT-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.62
Rot. Bonds8

About 1-(1,4-diamino-2-methylbutan-2-yl)oxy-3-methylpentan-3-ol

1-(1,4-diamino-2-methylbutan-2-yl)oxy-3-methylpentan-3-ol (PubChem CID 148960740) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(1,4-diamino-2-methylbutan-2-yl)oxy-3-methylpentan-3-ol.

Molecular Properties

Compound Name1-(1,4-diamino-2-methylbutan-2-yl)oxy-3-methylpentan-3-ol
PubChem CID148960740
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name1-(1,4-diamino-2-methylbutan-2-yl)oxy-3-methylpentan-3-ol
SMILESCCC(C)(O)CCOC(C)(CN)CCN
InChIInChI=1S/C11H26N2O2/c1-4-10(2,14)6-8-15-11(3,9-13)5-7-12/h14H,4-9,12-13H2,1-3H3
InChIKeyPRTODFBSKVXONT-UHFFFAOYSA-N
XLogP0.62
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-methylpentan-3-ol
CID 54320456
1-(2-aminobut-3-en-2-yloxy)-3-methylpentan-3-ol
CID 89112922
1-[1-(methoxymethylphosphanyl)-2-methylbutan-2-yl]oxy-3-methylpentan-3-ol
CID 156566414
[3-(3-hydroxy-3-methylpentoxy)-3-methylbutyl] 3-methylpentan-3-yl carbonate
CID 130220570
2-(3-methylpentan-3-yloxy)ethanamine
CID 87222058
4-[3-(3-aminopropoxy)-3-methylpentoxy]-4-methylhexan-1-amine
CID 143332737
1-amino-2-methylbutan-2-ol;hydrochloride
CID 87715344
1,5-diamino-3-methylpentan-3-ol
CID 55289745
3-(1-amino-2-methylnonan-2-yl)oxypropan-1-ol
CID 103377362
1,4-diamino-2-methylbutan-2-ol;dihydrochloride
CID 88739570
3-(3,3-dimethylpentoxy)-3-methylbutan-1-amine
CID 91197205
4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylhexan-1-amine
CID 90861062

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diamino-2-methylbutan-2-yl)oxy-3-methylpentan-3-ol?
The IUPAC name of 1-(1,4-diamino-2-methylbutan-2-yl)oxy-3-methylpentan-3-ol (CID 148960740) is 1-(1,4-diamino-2-methylbutan-2-yl)oxy-3-methylpentan-3-ol.
What is the SMILES notation for 1-(1,4-diamino-2-methylbutan-2-yl)oxy-3-methylpentan-3-ol?
The canonical SMILES for 1-(1,4-diamino-2-methylbutan-2-yl)oxy-3-methylpentan-3-ol is CCC(C)(O)CCOC(C)(CN)CCN.
What is the InChIKey of 1-(1,4-diamino-2-methylbutan-2-yl)oxy-3-methylpentan-3-ol?
The InChIKey is PRTODFBSKVXONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-4-10(2,14)6-8-15-11(3,9-13)5-7-12/h14H,4-9,12-13H2,1-3H3.
What are the key properties of 1-(1,4-diamino-2-methylbutan-2-yl)oxy-3-methylpentan-3-ol?
1-(1,4-diamino-2-methylbutan-2-yl)oxy-3-methylpentan-3-ol has a molecular weight of 218.34 g/mol, XLogP of 0.62, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diamino-2-methylbutan-2-yl)oxy-3-methylpentan-3-ol is sourced from PubChem (CID 148960740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).