(2Z)-3-methyl-2-(propan-2-ylhydrazinylidene)butan-1-ol

C8H18N2O — CID 166853587

IUPAC(2Z)-3-methyl-2-(propan-2-ylhydrazinylidene)butan-1-ol
SMILESCC(C)N/N=C(\CO)C(C)C
InChIInChI=1S/C8H18N2O/c1-6(2)8(5-11)10-9-7(3)4/h6-7,9,11H,5H2,1-4H3/b10-8+
InChIKeyIQULRMVUMXZRKZ-CSKARUKUSA-N
MW158.24 g/mol
LogP0.99
Rot. Bonds4

About (2Z)-3-methyl-2-(propan-2-ylhydrazinylidene)butan-1-ol

(2Z)-3-methyl-2-(propan-2-ylhydrazinylidene)butan-1-ol (PubChem CID 166853587) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is (2Z)-3-methyl-2-(propan-2-ylhydrazinylidene)butan-1-ol.

Molecular Properties

Compound Name(2Z)-3-methyl-2-(propan-2-ylhydrazinylidene)butan-1-ol
PubChem CID166853587
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name(2Z)-3-methyl-2-(propan-2-ylhydrazinylidene)butan-1-ol
SMILESCC(C)N/N=C(\CO)C(C)C
InChIInChI=1S/C8H18N2O/c1-6(2)8(5-11)10-9-7(3)4/h6-7,9,11H,5H2,1-4H3/b10-8+
InChIKeyIQULRMVUMXZRKZ-CSKARUKUSA-N
XLogP0.99
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (2Z)-3-methyl-2-(propan-2-ylhydrazinylidene)butan-1-ol?
The IUPAC name of (2Z)-3-methyl-2-(propan-2-ylhydrazinylidene)butan-1-ol (CID 166853587) is (2Z)-3-methyl-2-(propan-2-ylhydrazinylidene)butan-1-ol.
What is the SMILES notation for (2Z)-3-methyl-2-(propan-2-ylhydrazinylidene)butan-1-ol?
The canonical SMILES for (2Z)-3-methyl-2-(propan-2-ylhydrazinylidene)butan-1-ol is CC(C)N/N=C(\CO)C(C)C.
What is the InChIKey of (2Z)-3-methyl-2-(propan-2-ylhydrazinylidene)butan-1-ol?
The InChIKey is IQULRMVUMXZRKZ-CSKARUKUSA-N. The full InChI is InChI=1S/C8H18N2O/c1-6(2)8(5-11)10-9-7(3)4/h6-7,9,11H,5H2,1-4H3/b10-8+.
What are the key properties of (2Z)-3-methyl-2-(propan-2-ylhydrazinylidene)butan-1-ol?
(2Z)-3-methyl-2-(propan-2-ylhydrazinylidene)butan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-methyl-2-(propan-2-ylhydrazinylidene)butan-1-ol is sourced from PubChem (CID 166853587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).