1,1,2,2-tetrabutylhydrazine;hydrate

C16H38N2O — CID 172702997

IUPAC1,1,2,2-tetrabutylhydrazine;hydrate
SMILESCCCCN(CCCC)N(CCCC)CCCC.O
InChIInChI=1S/C16H36N2.H2O/c1-5-9-13-17(14-10-6-2)18(15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H2
InChIKeyDFDWTGRKNCFKKM-UHFFFAOYSA-N
MW274.49 g/mol
LogP3.88
Rot. Bonds13

About 1,1,2,2-tetrabutylhydrazine;hydrate

1,1,2,2-tetrabutylhydrazine;hydrate (PubChem CID 172702997) has the molecular formula C16H38N2O and a molecular weight of 274.49 g/mol. Its IUPAC name is 1,1,2,2-tetrabutylhydrazine;hydrate.

Molecular Properties

Compound Name1,1,2,2-tetrabutylhydrazine;hydrate
PubChem CID172702997
Molecular FormulaC16H38N2O
Molecular Weight274.49 g/mol
Exact Mass274.30
IUPAC Name1,1,2,2-tetrabutylhydrazine;hydrate
SMILESCCCCN(CCCC)N(CCCC)CCCC.O
InChIInChI=1S/C16H36N2.H2O/c1-5-9-13-17(14-10-6-2)18(15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H2
InChIKeyDFDWTGRKNCFKKM-UHFFFAOYSA-N
XLogP3.88
TPSA37.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.49
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
1,1-dibutyl-2,2-bis(prop-2-enyl)hydrazine
CID 57432921
1-[[[bis(didecylamino)amino]-(didecylamino)amino]-decylamino]decane
CID 150495095
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
hexadecakis(pentane);dihydrate
CID 173099119
hexane;tetrahydrate
CID 174107213
N,N,N',N'-tetrabutylbuta-1,3-diene-1,4-diamine
CID 154124490
N,N-dimethylbutan-1-amine;dihydrochloride
CID 174248401
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
N,N-dipentylpentan-1-amine;hydrate
CID 156801056
N-butyl-N-iodobutan-1-amine
CID 19800845

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrabutylhydrazine;hydrate?
The IUPAC name of 1,1,2,2-tetrabutylhydrazine;hydrate (CID 172702997) is 1,1,2,2-tetrabutylhydrazine;hydrate.
What is the SMILES notation for 1,1,2,2-tetrabutylhydrazine;hydrate?
The canonical SMILES for 1,1,2,2-tetrabutylhydrazine;hydrate is CCCCN(CCCC)N(CCCC)CCCC.O.
What is the InChIKey of 1,1,2,2-tetrabutylhydrazine;hydrate?
The InChIKey is DFDWTGRKNCFKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2.H2O/c1-5-9-13-17(14-10-6-2)18(15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H2.
What are the key properties of 1,1,2,2-tetrabutylhydrazine;hydrate?
1,1,2,2-tetrabutylhydrazine;hydrate has a molecular weight of 274.49 g/mol, XLogP of 3.88, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrabutylhydrazine;hydrate is sourced from PubChem (CID 172702997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).