(3E)-3-(pentan-3-ylhydrazinylidene)propan-1-ol

C8H18N2O — CID 138623091

IUPAC(3E)-3-(pentan-3-ylhydrazinylidene)propan-1-ol
SMILESCCC(CC)N/N=C/CCO
InChIInChI=1S/C8H18N2O/c1-3-8(4-2)10-9-6-5-7-11/h6,8,10-11H,3-5,7H2,1-2H3/b9-6+
InChIKeyBKSGZWRAPRARQV-RMKNXTFCSA-N
MW158.25 g/mol
LogP1.13
Rot. Bonds6

About (3E)-3-(pentan-3-ylhydrazinylidene)propan-1-ol

(3E)-3-(pentan-3-ylhydrazinylidene)propan-1-ol (PubChem CID 138623091) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is (3E)-3-(pentan-3-ylhydrazinylidene)propan-1-ol.

Molecular Properties

Compound Name(3E)-3-(pentan-3-ylhydrazinylidene)propan-1-ol
PubChem CID138623091
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name(3E)-3-(pentan-3-ylhydrazinylidene)propan-1-ol
SMILESCCC(CC)N/N=C/CCO
InChIInChI=1S/C8H18N2O/c1-3-8(4-2)10-9-6-5-7-11/h6,8,10-11H,3-5,7H2,1-2H3/b9-6+
InChIKeyBKSGZWRAPRARQV-RMKNXTFCSA-N
XLogP1.13
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
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 (3E)-3-(pentan-3-ylhydrazinylidene)propan-1-ol?
The IUPAC name of (3E)-3-(pentan-3-ylhydrazinylidene)propan-1-ol (CID 138623091) is (3E)-3-(pentan-3-ylhydrazinylidene)propan-1-ol.
What is the SMILES notation for (3E)-3-(pentan-3-ylhydrazinylidene)propan-1-ol?
The canonical SMILES for (3E)-3-(pentan-3-ylhydrazinylidene)propan-1-ol is CCC(CC)N/N=C/CCO.
What is the InChIKey of (3E)-3-(pentan-3-ylhydrazinylidene)propan-1-ol?
The InChIKey is BKSGZWRAPRARQV-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H18N2O/c1-3-8(4-2)10-9-6-5-7-11/h6,8,10-11H,3-5,7H2,1-2H3/b9-6+.
What are the key properties of (3E)-3-(pentan-3-ylhydrazinylidene)propan-1-ol?
(3E)-3-(pentan-3-ylhydrazinylidene)propan-1-ol has a molecular weight of 158.25 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(pentan-3-ylhydrazinylidene)propan-1-ol is sourced from PubChem (CID 138623091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).