3-(hydrazinylmethoxy)butan-1-ol

C5H14N2O2 — CID 167099986

IUPAC3-(hydrazinylmethoxy)butan-1-ol
SMILESCC(CCO)OCNN
InChIInChI=1S/C5H14N2O2/c1-5(2-3-8)9-4-7-6/h5,7-8H,2-4,6H2,1H3
InChIKeyDLDMHXPTQNYYMI-UHFFFAOYSA-N
MW134.18 g/mol
LogP-0.81
Rot. Bonds5

About 3-(hydrazinylmethoxy)butan-1-ol

3-(hydrazinylmethoxy)butan-1-ol (PubChem CID 167099986) has the molecular formula C5H14N2O2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 3-(hydrazinylmethoxy)butan-1-ol.

Molecular Properties

Compound Name3-(hydrazinylmethoxy)butan-1-ol
PubChem CID167099986
Molecular FormulaC5H14N2O2
Molecular Weight134.18 g/mol
Exact Mass134.11
IUPAC Name3-(hydrazinylmethoxy)butan-1-ol
SMILESCC(CCO)OCNN
InChIInChI=1S/C5H14N2O2/c1-5(2-3-8)9-4-7-6/h5,7-8H,2-4,6H2,1H3
InChIKeyDLDMHXPTQNYYMI-UHFFFAOYSA-N
XLogP-0.81
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Related Compounds

(3S)-3-[(2R)-4-hydroxybutan-2-yl]oxybutan-1-ol
CID 56841194
(3R)-3-[(2R)-4-hydroxybutan-2-yl]oxybutan-1-ol
CID 56841193
3-[2-(propan-2-ylamino)ethoxy]butan-1-ol
CID 155331206
(3S)-3-(2-methylbutoxy)butan-1-ol
CID 87892017
3-(2-methylbutoxy)butan-1-ol
CID 87892018
1-(4-hydroxybutan-2-yloxy)propan-2-yl formate
CID 158947423
3-[3-(2-ethenoxyethoxy)butoxy]butan-1-ol
CID 89181158
2-[(2S)-pentan-2-yl]oxyethanol
CID 89167429
hydroxy-(4-hydroxybutan-2-yloxy)-oxoazanium
CID 101015590
4-hydroxybutan-2-yl nitrate
CID 122699892
2-[4-(2-aminoethoxy)butan-2-yloxy]ethanol
CID 138577092
(2R,3R)-3-aminobutane-1,2-diol
CID 14325608

Frequently Asked Questions

What is the IUPAC name of 3-(hydrazinylmethoxy)butan-1-ol?
The IUPAC name of 3-(hydrazinylmethoxy)butan-1-ol (CID 167099986) is 3-(hydrazinylmethoxy)butan-1-ol.
What is the SMILES notation for 3-(hydrazinylmethoxy)butan-1-ol?
The canonical SMILES for 3-(hydrazinylmethoxy)butan-1-ol is CC(CCO)OCNN.
What is the InChIKey of 3-(hydrazinylmethoxy)butan-1-ol?
The InChIKey is DLDMHXPTQNYYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2/c1-5(2-3-8)9-4-7-6/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 3-(hydrazinylmethoxy)butan-1-ol?
3-(hydrazinylmethoxy)butan-1-ol has a molecular weight of 134.18 g/mol, XLogP of -0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydrazinylmethoxy)butan-1-ol is sourced from PubChem (CID 167099986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).