3,5-diamino-7-methoxy-2,4,6-trimethylheptan-1-ol

C11H26N2O2 — CID 170068951

IUPAC3,5-diamino-7-methoxy-2,4,6-trimethylheptan-1-ol
SMILESCOCC(C)C(N)C(C)C(N)C(C)CO
InChIInChI=1S/C11H26N2O2/c1-7(5-14)10(12)9(3)11(13)8(2)6-15-4/h7-11,14H,5-6,12-13H2,1-4H3
InChIKeyYEPBXEDJJKBBHS-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.19
Rot. Bonds7

About 3,5-diamino-7-methoxy-2,4,6-trimethylheptan-1-ol

3,5-diamino-7-methoxy-2,4,6-trimethylheptan-1-ol (PubChem CID 170068951) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3,5-diamino-7-methoxy-2,4,6-trimethylheptan-1-ol.

Molecular Properties

Compound Name3,5-diamino-7-methoxy-2,4,6-trimethylheptan-1-ol
PubChem CID170068951
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name3,5-diamino-7-methoxy-2,4,6-trimethylheptan-1-ol
SMILESCOCC(C)C(N)C(C)C(N)C(C)CO
InChIInChI=1S/C11H26N2O2/c1-7(5-14)10(12)9(3)11(13)8(2)6-15-4/h7-11,14H,5-6,12-13H2,1-4H3
InChIKeyYEPBXEDJJKBBHS-UHFFFAOYSA-N
XLogP0.19
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-methoxy-3-methylbutan-2-amine
CID 134348590
4-amino-1-methoxy-2-methylpentan-3-ol
CID 116502128
1,3-dimethoxy-2-methylpropane;3-methoxy-2-methylpropan-1-ol
CID 157414663
4-amino-1-methoxy-2,6-dimethylheptan-3-ol
CID 116502132
1,4-dimethoxy-2-(methoxymethyl)-3-methylbutane
CID 59866935
(2S)-1-methoxy-3-methylpentan-2-amine
CID 55263175
(2S,3S)-1-methoxy-3-methylpentan-2-amine
CID 28802418
1-amino-2,3,4-trimethylpentane-1,5-diol
CID 142052298
2,4-diethyl-6-(methoxymethyl)-3,5-dimethyloctan-1-ol
CID 170068950
(2S,3S)-1,4-dimethoxybutane-2,3-diamine
CID 11051828
1-methoxypropan-2-amine;prop-2-yn-1-ol
CID 145189711
bromomethane;methane;1-methoxy-2-methylpropane;2-methylpropan-1-ol
CID 159979197

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-7-methoxy-2,4,6-trimethylheptan-1-ol?
The IUPAC name of 3,5-diamino-7-methoxy-2,4,6-trimethylheptan-1-ol (CID 170068951) is 3,5-diamino-7-methoxy-2,4,6-trimethylheptan-1-ol.
What is the SMILES notation for 3,5-diamino-7-methoxy-2,4,6-trimethylheptan-1-ol?
The canonical SMILES for 3,5-diamino-7-methoxy-2,4,6-trimethylheptan-1-ol is COCC(C)C(N)C(C)C(N)C(C)CO.
What is the InChIKey of 3,5-diamino-7-methoxy-2,4,6-trimethylheptan-1-ol?
The InChIKey is YEPBXEDJJKBBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-7(5-14)10(12)9(3)11(13)8(2)6-15-4/h7-11,14H,5-6,12-13H2,1-4H3.
What are the key properties of 3,5-diamino-7-methoxy-2,4,6-trimethylheptan-1-ol?
3,5-diamino-7-methoxy-2,4,6-trimethylheptan-1-ol has a molecular weight of 218.34 g/mol, XLogP of 0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-7-methoxy-2,4,6-trimethylheptan-1-ol is sourced from PubChem (CID 170068951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).