2-[(2-hydrazinyl-4-pyridinyl)methyl-methylamino]cyclohexan-1-ol

C13H22N4O — CID 102636890

IUPAC2-[(2-hydrazinyl-4-pyridinyl)methyl-methylamino]cyclohexan-1-ol
SMILESCN(Cc1ccnc(NN)c1)C1CCCCC1O
InChIInChI=1S/C13H22N4O/c1-17(11-4-2-3-5-12(11)18)9-10-6-7-15-13(8-10)16-14/h6-8,11-12,18H,2-5,9,14H2,1H3,(H,15,16)
InChIKeyNZZCTGYVIKBQID-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.10
Rot. Bonds4

About 2-[(2-hydrazinyl-4-pyridinyl)methyl-methylamino]cyclohexan-1-ol

2-[(2-hydrazinyl-4-pyridinyl)methyl-methylamino]cyclohexan-1-ol (PubChem CID 102636890) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[(2-hydrazinyl-4-pyridinyl)methyl-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2-hydrazinyl-4-pyridinyl)methyl-methylamino]cyclohexan-1-ol
PubChem CID102636890
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[(2-hydrazinyl-4-pyridinyl)methyl-methylamino]cyclohexan-1-ol
SMILESCN(Cc1ccnc(NN)c1)C1CCCCC1O
InChIInChI=1S/C13H22N4O/c1-17(11-4-2-3-5-12(11)18)9-10-6-7-15-13(8-10)16-14/h6-8,11-12,18H,2-5,9,14H2,1H3,(H,15,16)
InChIKeyNZZCTGYVIKBQID-UHFFFAOYSA-N
XLogP1.10
TPSA74.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 2-[(2-hydrazinyl-4-pyridinyl)methyl-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(2-hydrazinyl-4-pyridinyl)methyl-methylamino]cyclohexan-1-ol (CID 102636890) is 2-[(2-hydrazinyl-4-pyridinyl)methyl-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(2-hydrazinyl-4-pyridinyl)methyl-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(2-hydrazinyl-4-pyridinyl)methyl-methylamino]cyclohexan-1-ol is CN(Cc1ccnc(NN)c1)C1CCCCC1O.
What is the InChIKey of 2-[(2-hydrazinyl-4-pyridinyl)methyl-methylamino]cyclohexan-1-ol?
The InChIKey is NZZCTGYVIKBQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-17(11-4-2-3-5-12(11)18)9-10-6-7-15-13(8-10)16-14/h6-8,11-12,18H,2-5,9,14H2,1H3,(H,15,16).
What are the key properties of 2-[(2-hydrazinyl-4-pyridinyl)methyl-methylamino]cyclohexan-1-ol?
2-[(2-hydrazinyl-4-pyridinyl)methyl-methylamino]cyclohexan-1-ol has a molecular weight of 250.35 g/mol, XLogP of 1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydrazinyl-4-pyridinyl)methyl-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102636890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).