5-[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]pentan-1-ol

C12H22N4O — CID 107204474

IUPAC5-[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]pentan-1-ol
SMILESCN(CCCCCO)Cc1cccnc1NN
InChIInChI=1S/C12H22N4O/c1-16(8-3-2-4-9-17)10-11-6-5-7-14-12(11)15-13/h5-7,17H,2-4,8-10,13H2,1H3,(H,14,15)
InChIKeyYGDKKYHTJWJUDK-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.96
Rot. Bonds8

About 5-[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]pentan-1-ol

5-[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]pentan-1-ol (PubChem CID 107204474) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]pentan-1-ol
PubChem CID107204474
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]pentan-1-ol
SMILESCN(CCCCCO)Cc1cccnc1NN
InChIInChI=1S/C12H22N4O/c1-16(8-3-2-4-9-17)10-11-6-5-7-14-12(11)15-13/h5-7,17H,2-4,8-10,13H2,1H3,(H,14,15)
InChIKeyYGDKKYHTJWJUDK-UHFFFAOYSA-N
XLogP0.96
TPSA74.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 5-[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]pentan-1-ol?
The IUPAC name of 5-[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]pentan-1-ol (CID 107204474) is 5-[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]pentan-1-ol?
The canonical SMILES for 5-[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]pentan-1-ol is CN(CCCCCO)Cc1cccnc1NN.
What is the InChIKey of 5-[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]pentan-1-ol?
The InChIKey is YGDKKYHTJWJUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-16(8-3-2-4-9-17)10-11-6-5-7-14-12(11)15-13/h5-7,17H,2-4,8-10,13H2,1H3,(H,14,15).
What are the key properties of 5-[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]pentan-1-ol?
5-[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]pentan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 0.96, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]pentan-1-ol is sourced from PubChem (CID 107204474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).