1-(2,2-dimethylpentyl)-2-[3-(3-methyl-3-propoxybutoxy)butyl]hydrazine

C19H42N2O2 — CID 164574648

IUPAC1-(2,2-dimethylpentyl)-2-[3-(3-methyl-3-propoxybutoxy)butyl]hydrazine
SMILESCCCOC(C)(C)CCOC(C)CCNNCC(C)(C)CCC
InChIInChI=1S/C19H42N2O2/c1-8-11-18(4,5)16-21-20-13-10-17(3)22-15-12-19(6,7)23-14-9-2/h17,20-21H,8-16H2,1-7H3
InChIKeyHLQKEAVOGFSXKO-UHFFFAOYSA-N
MW330.56 g/mol
LogP4.30
Rot. Bonds15

About 1-(2,2-dimethylpentyl)-2-[3-(3-methyl-3-propoxybutoxy)butyl]hydrazine

1-(2,2-dimethylpentyl)-2-[3-(3-methyl-3-propoxybutoxy)butyl]hydrazine (PubChem CID 164574648) has the molecular formula C19H42N2O2 and a molecular weight of 330.56 g/mol. Its IUPAC name is 1-(2,2-dimethylpentyl)-2-[3-(3-methyl-3-propoxybutoxy)butyl]hydrazine.

Molecular Properties

Compound Name1-(2,2-dimethylpentyl)-2-[3-(3-methyl-3-propoxybutoxy)butyl]hydrazine
PubChem CID164574648
Molecular FormulaC19H42N2O2
Molecular Weight330.56 g/mol
Exact Mass330.32
IUPAC Name1-(2,2-dimethylpentyl)-2-[3-(3-methyl-3-propoxybutoxy)butyl]hydrazine
SMILESCCCOC(C)(C)CCOC(C)CCNNCC(C)(C)CCC
InChIInChI=1S/C19H42N2O2/c1-8-11-18(4,5)16-21-20-13-10-17(3)22-15-12-19(6,7)23-14-9-2/h17,20-21H,8-16H2,1-7H3
InChIKeyHLQKEAVOGFSXKO-UHFFFAOYSA-N
XLogP4.30
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.56
LogP ≤ 54.30
H-Bond Donors ≤ 52
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 1-(2,2-dimethylpentyl)-2-[3-(3-methyl-3-propoxybutoxy)butyl]hydrazine?
The IUPAC name of 1-(2,2-dimethylpentyl)-2-[3-(3-methyl-3-propoxybutoxy)butyl]hydrazine (CID 164574648) is 1-(2,2-dimethylpentyl)-2-[3-(3-methyl-3-propoxybutoxy)butyl]hydrazine.
What is the SMILES notation for 1-(2,2-dimethylpentyl)-2-[3-(3-methyl-3-propoxybutoxy)butyl]hydrazine?
The canonical SMILES for 1-(2,2-dimethylpentyl)-2-[3-(3-methyl-3-propoxybutoxy)butyl]hydrazine is CCCOC(C)(C)CCOC(C)CCNNCC(C)(C)CCC.
What is the InChIKey of 1-(2,2-dimethylpentyl)-2-[3-(3-methyl-3-propoxybutoxy)butyl]hydrazine?
The InChIKey is HLQKEAVOGFSXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2O2/c1-8-11-18(4,5)16-21-20-13-10-17(3)22-15-12-19(6,7)23-14-9-2/h17,20-21H,8-16H2,1-7H3.
What are the key properties of 1-(2,2-dimethylpentyl)-2-[3-(3-methyl-3-propoxybutoxy)butyl]hydrazine?
1-(2,2-dimethylpentyl)-2-[3-(3-methyl-3-propoxybutoxy)butyl]hydrazine has a molecular weight of 330.56 g/mol, XLogP of 4.30, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpentyl)-2-[3-(3-methyl-3-propoxybutoxy)butyl]hydrazine is sourced from PubChem (CID 164574648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).