(E)-5-methyl-4-(methylamino)hex-3-ene-1,5-diol

C8H17NO2 — CID 163441961

IUPAC(E)-5-methyl-4-(methylamino)hex-3-ene-1,5-diol
SMILESCN/C(=C/CCO)C(C)(C)O
InChIInChI=1S/C8H17NO2/c1-8(2,11)7(9-3)5-4-6-10/h5,9-11H,4,6H2,1-3H3/b7-5+
InChIKeyAZHSCJCILWVTSC-FNORWQNLSA-N
MW159.23 g/mol
LogP0.24
Rot. Bonds4

About (E)-5-methyl-4-(methylamino)hex-3-ene-1,5-diol

(E)-5-methyl-4-(methylamino)hex-3-ene-1,5-diol (PubChem CID 163441961) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (E)-5-methyl-4-(methylamino)hex-3-ene-1,5-diol.

Molecular Properties

Compound Name(E)-5-methyl-4-(methylamino)hex-3-ene-1,5-diol
PubChem CID163441961
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(E)-5-methyl-4-(methylamino)hex-3-ene-1,5-diol
SMILESCN/C(=C/CCO)C(C)(C)O
InChIInChI=1S/C8H17NO2/c1-8(2,11)7(9-3)5-4-6-10/h5,9-11H,4,6H2,1-3H3/b7-5+
InChIKeyAZHSCJCILWVTSC-FNORWQNLSA-N
XLogP0.24
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(4Z,6Z)-3,7-dihydroxy-3-methylhepta-1,4,6-trien-2-yl]-methylazanium
CID 143837540
(1Z,3Z)-5-methyl-6-(methylamino)hepta-1,3,6-triene-1,5-diol
CID 143837541

Frequently Asked Questions

What is the IUPAC name of (E)-5-methyl-4-(methylamino)hex-3-ene-1,5-diol?
The IUPAC name of (E)-5-methyl-4-(methylamino)hex-3-ene-1,5-diol (CID 163441961) is (E)-5-methyl-4-(methylamino)hex-3-ene-1,5-diol.
What is the SMILES notation for (E)-5-methyl-4-(methylamino)hex-3-ene-1,5-diol?
The canonical SMILES for (E)-5-methyl-4-(methylamino)hex-3-ene-1,5-diol is CN/C(=C/CCO)C(C)(C)O.
What is the InChIKey of (E)-5-methyl-4-(methylamino)hex-3-ene-1,5-diol?
The InChIKey is AZHSCJCILWVTSC-FNORWQNLSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(2,11)7(9-3)5-4-6-10/h5,9-11H,4,6H2,1-3H3/b7-5+.
What are the key properties of (E)-5-methyl-4-(methylamino)hex-3-ene-1,5-diol?
(E)-5-methyl-4-(methylamino)hex-3-ene-1,5-diol has a molecular weight of 159.23 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methyl-4-(methylamino)hex-3-ene-1,5-diol is sourced from PubChem (CID 163441961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).