(5E)-5-(propan-2-ylhydrazinylidene)hexan-1-ol

C9H20N2O — CID 23263488

IUPAC(5E)-5-(propan-2-ylhydrazinylidene)hexan-1-ol
SMILESC/C(CCCCO)=N\NC(C)C
InChIInChI=1S/C9H20N2O/c1-8(2)10-11-9(3)6-4-5-7-12/h8,10,12H,4-7H2,1-3H3/b11-9+
InChIKeyZFRCUGGQVRKCSC-PKNBQFBNSA-N
MW172.27 g/mol
LogP1.52
Rot. Bonds6

About (5E)-5-(propan-2-ylhydrazinylidene)hexan-1-ol

(5E)-5-(propan-2-ylhydrazinylidene)hexan-1-ol (PubChem CID 23263488) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (5E)-5-(propan-2-ylhydrazinylidene)hexan-1-ol.

Molecular Properties

Compound Name(5E)-5-(propan-2-ylhydrazinylidene)hexan-1-ol
PubChem CID23263488
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(5E)-5-(propan-2-ylhydrazinylidene)hexan-1-ol
SMILESC/C(CCCCO)=N\NC(C)C
InChIInChI=1S/C9H20N2O/c1-8(2)10-11-9(3)6-4-5-7-12/h8,10,12H,4-7H2,1-3H3/b11-9+
InChIKeyZFRCUGGQVRKCSC-PKNBQFBNSA-N
XLogP1.52
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (5E)-5-(propan-2-ylhydrazinylidene)hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6Z)-6-(octylhydrazinylidene)heptan-1-ol
CID 6393234
3-pentyl-4,5-dihydro-1H-pyrazol-5-ol
CID 70293614
3-propyl-4,5-dihydro-1H-pyrazol-5-ol
CID 135138749
(3E)-3-(pentan-3-ylhydrazinylidene)propan-1-ol
CID 138623091
3-hexyl-4,5-dihydro-1H-pyrazol-5-ol
CID 175212562
6-(Octylhydrazinylidene)heptan-1-ol
CID 269977
(6E)-6-(octylhydrazinylidene)heptan-1-ol
CID 5381165
4-(2-Hydroxyethylhydrazinylidene)cyclohexan-1-ol
CID 15717257
(4E)-4-(propylhydrazinylidene)pentan-1-ol
CID 23263409
(4E)-4-(propan-2-ylhydrazinylidene)pentan-1-ol
CID 23263411
(5E)-5-(propylhydrazinylidene)hexan-1-ol
CID 23263487
2-(2-Heptan-4-ylidenehydrazinyl)ethanol
CID 85621628

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(propan-2-ylhydrazinylidene)hexan-1-ol?
The IUPAC name of (5E)-5-(propan-2-ylhydrazinylidene)hexan-1-ol (CID 23263488) is (5E)-5-(propan-2-ylhydrazinylidene)hexan-1-ol.
What is the SMILES notation for (5E)-5-(propan-2-ylhydrazinylidene)hexan-1-ol?
The canonical SMILES for (5E)-5-(propan-2-ylhydrazinylidene)hexan-1-ol is C/C(CCCCO)=N\NC(C)C.
What is the InChIKey of (5E)-5-(propan-2-ylhydrazinylidene)hexan-1-ol?
The InChIKey is ZFRCUGGQVRKCSC-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(2)10-11-9(3)6-4-5-7-12/h8,10,12H,4-7H2,1-3H3/b11-9+.
What are the key properties of (5E)-5-(propan-2-ylhydrazinylidene)hexan-1-ol?
(5E)-5-(propan-2-ylhydrazinylidene)hexan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(propan-2-ylhydrazinylidene)hexan-1-ol is sourced from PubChem (CID 23263488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).