3,3-dimethyl-1-[2-methyl-4-[2-(methylamino)hydrazinyl]butan-2-yl]oxypentane

C13H31N3O — CID 170703402

IUPAC3,3-dimethyl-1-[2-methyl-4-[2-(methylamino)hydrazinyl]butan-2-yl]oxypentane
SMILESCCC(C)(C)CCOC(C)(C)CCNNNC
InChIInChI=1S/C13H31N3O/c1-7-12(2,3)9-11-17-13(4,5)8-10-15-16-14-6/h14-16H,7-11H2,1-6H3
InChIKeyYLENBIVACOHNFL-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.23
Rot. Bonds10

About 3,3-dimethyl-1-[2-methyl-4-[2-(methylamino)hydrazinyl]butan-2-yl]oxypentane

3,3-dimethyl-1-[2-methyl-4-[2-(methylamino)hydrazinyl]butan-2-yl]oxypentane (PubChem CID 170703402) has the molecular formula C13H31N3O and a molecular weight of 245.41 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-methyl-4-[2-(methylamino)hydrazinyl]butan-2-yl]oxypentane.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-methyl-4-[2-(methylamino)hydrazinyl]butan-2-yl]oxypentane
PubChem CID170703402
Molecular FormulaC13H31N3O
Molecular Weight245.41 g/mol
Exact Mass245.25
IUPAC Name3,3-dimethyl-1-[2-methyl-4-[2-(methylamino)hydrazinyl]butan-2-yl]oxypentane
SMILESCCC(C)(C)CCOC(C)(C)CCNNNC
InChIInChI=1S/C13H31N3O/c1-7-12(2,3)9-11-17-13(4,5)8-10-15-16-14-6/h14-16H,7-11H2,1-6H3
InChIKeyYLENBIVACOHNFL-UHFFFAOYSA-N
XLogP2.23
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-dimethyl-1-[2-methyl-4-[2-(methylamino)hydrazinyl]butan-2-yl]oxypentane?
The IUPAC name of 3,3-dimethyl-1-[2-methyl-4-[2-(methylamino)hydrazinyl]butan-2-yl]oxypentane (CID 170703402) is 3,3-dimethyl-1-[2-methyl-4-[2-(methylamino)hydrazinyl]butan-2-yl]oxypentane.
What is the SMILES notation for 3,3-dimethyl-1-[2-methyl-4-[2-(methylamino)hydrazinyl]butan-2-yl]oxypentane?
The canonical SMILES for 3,3-dimethyl-1-[2-methyl-4-[2-(methylamino)hydrazinyl]butan-2-yl]oxypentane is CCC(C)(C)CCOC(C)(C)CCNNNC.
What is the InChIKey of 3,3-dimethyl-1-[2-methyl-4-[2-(methylamino)hydrazinyl]butan-2-yl]oxypentane?
The InChIKey is YLENBIVACOHNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3O/c1-7-12(2,3)9-11-17-13(4,5)8-10-15-16-14-6/h14-16H,7-11H2,1-6H3.
What are the key properties of 3,3-dimethyl-1-[2-methyl-4-[2-(methylamino)hydrazinyl]butan-2-yl]oxypentane?
3,3-dimethyl-1-[2-methyl-4-[2-(methylamino)hydrazinyl]butan-2-yl]oxypentane has a molecular weight of 245.41 g/mol, XLogP of 2.23, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-methyl-4-[2-(methylamino)hydrazinyl]butan-2-yl]oxypentane is sourced from PubChem (CID 170703402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).