(E)-4-methyl-1-[methyl-(2-propan-2-ylhydrazinyl)amino]hex-4-en-3-ol

C11H25N3O — CID 166877960

IUPAC(E)-4-methyl-1-[methyl-(2-propan-2-ylhydrazinyl)amino]hex-4-en-3-ol
SMILESC/C=C(\C)C(O)CCN(C)NNC(C)C
InChIInChI=1S/C11H25N3O/c1-6-10(4)11(15)7-8-14(5)13-12-9(2)3/h6,9,11-13,15H,7-8H2,1-5H3/b10-6+
InChIKeyZUMBEHDZYRDIKP-UXBLZVDNSA-N
MW215.34 g/mol
LogP1.05
Rot. Bonds7

About (E)-4-methyl-1-[methyl-(2-propan-2-ylhydrazinyl)amino]hex-4-en-3-ol

(E)-4-methyl-1-[methyl-(2-propan-2-ylhydrazinyl)amino]hex-4-en-3-ol (PubChem CID 166877960) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is (E)-4-methyl-1-[methyl-(2-propan-2-ylhydrazinyl)amino]hex-4-en-3-ol.

Molecular Properties

Compound Name(E)-4-methyl-1-[methyl-(2-propan-2-ylhydrazinyl)amino]hex-4-en-3-ol
PubChem CID166877960
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name(E)-4-methyl-1-[methyl-(2-propan-2-ylhydrazinyl)amino]hex-4-en-3-ol
SMILESC/C=C(\C)C(O)CCN(C)NNC(C)C
InChIInChI=1S/C11H25N3O/c1-6-10(4)11(15)7-8-14(5)13-12-9(2)3/h6,9,11-13,15H,7-8H2,1-5H3/b10-6+
InChIKeyZUMBEHDZYRDIKP-UXBLZVDNSA-N
XLogP1.05
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-1-[methyl-(2-propan-2-ylhydrazinyl)amino]hex-4-en-3-ol?
The IUPAC name of (E)-4-methyl-1-[methyl-(2-propan-2-ylhydrazinyl)amino]hex-4-en-3-ol (CID 166877960) is (E)-4-methyl-1-[methyl-(2-propan-2-ylhydrazinyl)amino]hex-4-en-3-ol.
What is the SMILES notation for (E)-4-methyl-1-[methyl-(2-propan-2-ylhydrazinyl)amino]hex-4-en-3-ol?
The canonical SMILES for (E)-4-methyl-1-[methyl-(2-propan-2-ylhydrazinyl)amino]hex-4-en-3-ol is C/C=C(\C)C(O)CCN(C)NNC(C)C.
What is the InChIKey of (E)-4-methyl-1-[methyl-(2-propan-2-ylhydrazinyl)amino]hex-4-en-3-ol?
The InChIKey is ZUMBEHDZYRDIKP-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H25N3O/c1-6-10(4)11(15)7-8-14(5)13-12-9(2)3/h6,9,11-13,15H,7-8H2,1-5H3/b10-6+.
What are the key properties of (E)-4-methyl-1-[methyl-(2-propan-2-ylhydrazinyl)amino]hex-4-en-3-ol?
(E)-4-methyl-1-[methyl-(2-propan-2-ylhydrazinyl)amino]hex-4-en-3-ol has a molecular weight of 215.34 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-1-[methyl-(2-propan-2-ylhydrazinyl)amino]hex-4-en-3-ol is sourced from PubChem (CID 166877960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).