1-methyl-1-(3-methylhex-5-en-3-yl)-2-pentylhydrazine

C13H28N2 — CID 174857709

IUPAC1-methyl-1-(3-methylhex-5-en-3-yl)-2-pentylhydrazine
SMILESC=CCC(C)(CC)N(C)NCCCCC
InChIInChI=1S/C13H28N2/c1-6-9-10-12-14-15(5)13(4,8-3)11-7-2/h7,14H,2,6,8-12H2,1,3-5H3
InChIKeyZFLCEMWBICLWTJ-UHFFFAOYSA-N
MW212.38 g/mol
LogP3.36
Rot. Bonds9

About 1-methyl-1-(3-methylhex-5-en-3-yl)-2-pentylhydrazine

1-methyl-1-(3-methylhex-5-en-3-yl)-2-pentylhydrazine (PubChem CID 174857709) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-methyl-1-(3-methylhex-5-en-3-yl)-2-pentylhydrazine.

Molecular Properties

Compound Name1-methyl-1-(3-methylhex-5-en-3-yl)-2-pentylhydrazine
PubChem CID174857709
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-methyl-1-(3-methylhex-5-en-3-yl)-2-pentylhydrazine
SMILESC=CCC(C)(CC)N(C)NCCCCC
InChIInChI=1S/C13H28N2/c1-6-9-10-12-14-15(5)13(4,8-3)11-7-2/h7,14H,2,6,8-12H2,1,3-5H3
InChIKeyZFLCEMWBICLWTJ-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-methyl-1-(3-methylhex-5-en-3-yl)-2-pentylhydrazine?
The IUPAC name of 1-methyl-1-(3-methylhex-5-en-3-yl)-2-pentylhydrazine (CID 174857709) is 1-methyl-1-(3-methylhex-5-en-3-yl)-2-pentylhydrazine.
What is the SMILES notation for 1-methyl-1-(3-methylhex-5-en-3-yl)-2-pentylhydrazine?
The canonical SMILES for 1-methyl-1-(3-methylhex-5-en-3-yl)-2-pentylhydrazine is C=CCC(C)(CC)N(C)NCCCCC.
What is the InChIKey of 1-methyl-1-(3-methylhex-5-en-3-yl)-2-pentylhydrazine?
The InChIKey is ZFLCEMWBICLWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-6-9-10-12-14-15(5)13(4,8-3)11-7-2/h7,14H,2,6,8-12H2,1,3-5H3.
What are the key properties of 1-methyl-1-(3-methylhex-5-en-3-yl)-2-pentylhydrazine?
1-methyl-1-(3-methylhex-5-en-3-yl)-2-pentylhydrazine has a molecular weight of 212.38 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(3-methylhex-5-en-3-yl)-2-pentylhydrazine is sourced from PubChem (CID 174857709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).