(4E)-4-(propan-2-ylhydrazinylidene)pentan-1-ol

C8H18N2O — CID 23263411

IUPAC(4E)-4-(propan-2-ylhydrazinylidene)pentan-1-ol
SMILESC/C(CCCO)=N\NC(C)C
InChIInChI=1S/C8H18N2O/c1-7(2)9-10-8(3)5-4-6-11/h7,9,11H,4-6H2,1-3H3/b10-8+
InChIKeyKPPBWOIIBVOAEN-CSKARUKUSA-N
MW158.24 g/mol
LogP1.13
Rot. Bonds5

About (4E)-4-(propan-2-ylhydrazinylidene)pentan-1-ol

(4E)-4-(propan-2-ylhydrazinylidene)pentan-1-ol (PubChem CID 23263411) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is (4E)-4-(propan-2-ylhydrazinylidene)pentan-1-ol.

Molecular Properties

Compound Name(4E)-4-(propan-2-ylhydrazinylidene)pentan-1-ol
PubChem CID23263411
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name(4E)-4-(propan-2-ylhydrazinylidene)pentan-1-ol
SMILESC/C(CCCO)=N\NC(C)C
InChIInChI=1S/C8H18N2O/c1-7(2)9-10-8(3)5-4-6-11/h7,9,11H,4-6H2,1-3H3/b10-8+
InChIKeyKPPBWOIIBVOAEN-CSKARUKUSA-N
XLogP1.13
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.13
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 (4E)-4-(propan-2-ylhydrazinylidene)pentan-1-ol?
The IUPAC name of (4E)-4-(propan-2-ylhydrazinylidene)pentan-1-ol (CID 23263411) is (4E)-4-(propan-2-ylhydrazinylidene)pentan-1-ol.
What is the SMILES notation for (4E)-4-(propan-2-ylhydrazinylidene)pentan-1-ol?
The canonical SMILES for (4E)-4-(propan-2-ylhydrazinylidene)pentan-1-ol is C/C(CCCO)=N\NC(C)C.
What is the InChIKey of (4E)-4-(propan-2-ylhydrazinylidene)pentan-1-ol?
The InChIKey is KPPBWOIIBVOAEN-CSKARUKUSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(2)9-10-8(3)5-4-6-11/h7,9,11H,4-6H2,1-3H3/b10-8+.
What are the key properties of (4E)-4-(propan-2-ylhydrazinylidene)pentan-1-ol?
(4E)-4-(propan-2-ylhydrazinylidene)pentan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(propan-2-ylhydrazinylidene)pentan-1-ol is sourced from PubChem (CID 23263411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).