3-[3-(2-hydrazinylethoxy)-3-methylbutoxy]-3-methylbutan-1-amine

C12H29N3O2 — CID 143744836

IUPAC3-[3-(2-hydrazinylethoxy)-3-methylbutoxy]-3-methylbutan-1-amine
SMILESCC(C)(CCN)OCCC(C)(C)OCCNN
InChIInChI=1S/C12H29N3O2/c1-11(2,5-7-13)16-9-6-12(3,4)17-10-8-15-14/h15H,5-10,13-14H2,1-4H3
InChIKeyYWTGKGDRSGOAND-UHFFFAOYSA-N
MW247.38 g/mol
LogP0.78
Rot. Bonds10

About 3-[3-(2-hydrazinylethoxy)-3-methylbutoxy]-3-methylbutan-1-amine

3-[3-(2-hydrazinylethoxy)-3-methylbutoxy]-3-methylbutan-1-amine (PubChem CID 143744836) has the molecular formula C12H29N3O2 and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-[3-(2-hydrazinylethoxy)-3-methylbutoxy]-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-[3-(2-hydrazinylethoxy)-3-methylbutoxy]-3-methylbutan-1-amine
PubChem CID143744836
Molecular FormulaC12H29N3O2
Molecular Weight247.38 g/mol
Exact Mass247.23
IUPAC Name3-[3-(2-hydrazinylethoxy)-3-methylbutoxy]-3-methylbutan-1-amine
SMILESCC(C)(CCN)OCCC(C)(C)OCCNN
InChIInChI=1S/C12H29N3O2/c1-11(2,5-7-13)16-9-6-12(3,4)17-10-8-15-14/h15H,5-10,13-14H2,1-4H3
InChIKeyYWTGKGDRSGOAND-UHFFFAOYSA-N
XLogP0.78
TPSA82.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 50.78
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 3-[3-(2-hydrazinylethoxy)-3-methylbutoxy]-3-methylbutan-1-amine?
The IUPAC name of 3-[3-(2-hydrazinylethoxy)-3-methylbutoxy]-3-methylbutan-1-amine (CID 143744836) is 3-[3-(2-hydrazinylethoxy)-3-methylbutoxy]-3-methylbutan-1-amine.
What is the SMILES notation for 3-[3-(2-hydrazinylethoxy)-3-methylbutoxy]-3-methylbutan-1-amine?
The canonical SMILES for 3-[3-(2-hydrazinylethoxy)-3-methylbutoxy]-3-methylbutan-1-amine is CC(C)(CCN)OCCC(C)(C)OCCNN.
What is the InChIKey of 3-[3-(2-hydrazinylethoxy)-3-methylbutoxy]-3-methylbutan-1-amine?
The InChIKey is YWTGKGDRSGOAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O2/c1-11(2,5-7-13)16-9-6-12(3,4)17-10-8-15-14/h15H,5-10,13-14H2,1-4H3.
What are the key properties of 3-[3-(2-hydrazinylethoxy)-3-methylbutoxy]-3-methylbutan-1-amine?
3-[3-(2-hydrazinylethoxy)-3-methylbutoxy]-3-methylbutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 0.78, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-hydrazinylethoxy)-3-methylbutoxy]-3-methylbutan-1-amine is sourced from PubChem (CID 143744836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).