3-[diamino(hydrazinyl)methyl]pentan-3-ol

C6H18N4O — CID 54080942

IUPAC3-[diamino(hydrazinyl)methyl]pentan-3-ol
SMILESCCC(O)(CC)C(N)(N)NN
InChIInChI=1S/C6H18N4O/c1-3-5(11,4-2)6(7,8)10-9/h10-11H,3-4,7-9H2,1-2H3
InChIKeyMNBNVXGQLPUPCI-UHFFFAOYSA-N
MW162.24 g/mol
LogP-1.43
Rot. Bonds4

About 3-[diamino(hydrazinyl)methyl]pentan-3-ol

3-[diamino(hydrazinyl)methyl]pentan-3-ol (PubChem CID 54080942) has the molecular formula C6H18N4O and a molecular weight of 162.24 g/mol. Its IUPAC name is 3-[diamino(hydrazinyl)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[diamino(hydrazinyl)methyl]pentan-3-ol
PubChem CID54080942
Molecular FormulaC6H18N4O
Molecular Weight162.24 g/mol
Exact Mass162.15
IUPAC Name3-[diamino(hydrazinyl)methyl]pentan-3-ol
SMILESCCC(O)(CC)C(N)(N)NN
InChIInChI=1S/C6H18N4O/c1-3-5(11,4-2)6(7,8)10-9/h10-11H,3-4,7-9H2,1-2H3
InChIKeyMNBNVXGQLPUPCI-UHFFFAOYSA-N
XLogP-1.43
TPSA110.32 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 5-1.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 3-[diamino(hydrazinyl)methyl]pentan-3-ol?
The IUPAC name of 3-[diamino(hydrazinyl)methyl]pentan-3-ol (CID 54080942) is 3-[diamino(hydrazinyl)methyl]pentan-3-ol.
What is the SMILES notation for 3-[diamino(hydrazinyl)methyl]pentan-3-ol?
The canonical SMILES for 3-[diamino(hydrazinyl)methyl]pentan-3-ol is CCC(O)(CC)C(N)(N)NN.
What is the InChIKey of 3-[diamino(hydrazinyl)methyl]pentan-3-ol?
The InChIKey is MNBNVXGQLPUPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N4O/c1-3-5(11,4-2)6(7,8)10-9/h10-11H,3-4,7-9H2,1-2H3.
What are the key properties of 3-[diamino(hydrazinyl)methyl]pentan-3-ol?
3-[diamino(hydrazinyl)methyl]pentan-3-ol has a molecular weight of 162.24 g/mol, XLogP of -1.43, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diamino(hydrazinyl)methyl]pentan-3-ol is sourced from PubChem (CID 54080942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).