6-methyl-7-(methylamino)hept-1-ene-3,4-diol

C9H19NO2 — CID 90932798

IUPAC6-methyl-7-(methylamino)hept-1-ene-3,4-diol
SMILESC=CC(O)C(O)CC(C)CNC
InChIInChI=1S/C9H19NO2/c1-4-8(11)9(12)5-7(2)6-10-3/h4,7-12H,1,5-6H2,2-3H3
InChIKeyYVMZLNDAYJMGBN-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.14
Rot. Bonds6

About 6-methyl-7-(methylamino)hept-1-ene-3,4-diol

6-methyl-7-(methylamino)hept-1-ene-3,4-diol (PubChem CID 90932798) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 6-methyl-7-(methylamino)hept-1-ene-3,4-diol.

Molecular Properties

Compound Name6-methyl-7-(methylamino)hept-1-ene-3,4-diol
PubChem CID90932798
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name6-methyl-7-(methylamino)hept-1-ene-3,4-diol
SMILESC=CC(O)C(O)CC(C)CNC
InChIInChI=1S/C9H19NO2/c1-4-8(11)9(12)5-7(2)6-10-3/h4,7-12H,1,5-6H2,2-3H3
InChIKeyYVMZLNDAYJMGBN-UHFFFAOYSA-N
XLogP0.14
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-(methylamino)hept-1-ene-3,4-diol?
The IUPAC name of 6-methyl-7-(methylamino)hept-1-ene-3,4-diol (CID 90932798) is 6-methyl-7-(methylamino)hept-1-ene-3,4-diol.
What is the SMILES notation for 6-methyl-7-(methylamino)hept-1-ene-3,4-diol?
The canonical SMILES for 6-methyl-7-(methylamino)hept-1-ene-3,4-diol is C=CC(O)C(O)CC(C)CNC.
What is the InChIKey of 6-methyl-7-(methylamino)hept-1-ene-3,4-diol?
The InChIKey is YVMZLNDAYJMGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-8(11)9(12)5-7(2)6-10-3/h4,7-12H,1,5-6H2,2-3H3.
What are the key properties of 6-methyl-7-(methylamino)hept-1-ene-3,4-diol?
6-methyl-7-(methylamino)hept-1-ene-3,4-diol has a molecular weight of 173.26 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-(methylamino)hept-1-ene-3,4-diol is sourced from PubChem (CID 90932798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).