(E)-3-amino-2-methylhex-1-ene-1,6-diol

C7H15NO2 — CID 89153782

IUPAC(E)-3-amino-2-methylhex-1-ene-1,6-diol
SMILESC/C(=C\O)C(N)CCCO
InChIInChI=1S/C7H15NO2/c1-6(5-10)7(8)3-2-4-9/h5,7,9-10H,2-4,8H2,1H3/b6-5+
InChIKeyZPFVBCLMUIXXKH-AATRIKPKSA-N
MW145.20 g/mol
LogP0.55
Rot. Bonds4

About (E)-3-amino-2-methylhex-1-ene-1,6-diol

(E)-3-amino-2-methylhex-1-ene-1,6-diol (PubChem CID 89153782) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (E)-3-amino-2-methylhex-1-ene-1,6-diol.

Molecular Properties

Compound Name(E)-3-amino-2-methylhex-1-ene-1,6-diol
PubChem CID89153782
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(E)-3-amino-2-methylhex-1-ene-1,6-diol
SMILESC/C(=C\O)C(N)CCCO
InChIInChI=1S/C7H15NO2/c1-6(5-10)7(8)3-2-4-9/h5,7,9-10H,2-4,8H2,1H3/b6-5+
InChIKeyZPFVBCLMUIXXKH-AATRIKPKSA-N
XLogP0.55
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-2-methylhex-1-ene-1,6-diol?
The IUPAC name of (E)-3-amino-2-methylhex-1-ene-1,6-diol (CID 89153782) is (E)-3-amino-2-methylhex-1-ene-1,6-diol.
What is the SMILES notation for (E)-3-amino-2-methylhex-1-ene-1,6-diol?
The canonical SMILES for (E)-3-amino-2-methylhex-1-ene-1,6-diol is C/C(=C\O)C(N)CCCO.
What is the InChIKey of (E)-3-amino-2-methylhex-1-ene-1,6-diol?
The InChIKey is ZPFVBCLMUIXXKH-AATRIKPKSA-N. The full InChI is InChI=1S/C7H15NO2/c1-6(5-10)7(8)3-2-4-9/h5,7,9-10H,2-4,8H2,1H3/b6-5+.
What are the key properties of (E)-3-amino-2-methylhex-1-ene-1,6-diol?
(E)-3-amino-2-methylhex-1-ene-1,6-diol has a molecular weight of 145.20 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-2-methylhex-1-ene-1,6-diol is sourced from PubChem (CID 89153782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).