1-methyl-1-(3-methylhex-5-enyl)-2-pentylhydrazine

C13H28N2 — CID 174857707

IUPAC1-methyl-1-(3-methylhex-5-enyl)-2-pentylhydrazine
SMILESC=CCC(C)CCN(C)NCCCCC
InChIInChI=1S/C13H28N2/c1-5-7-8-11-14-15(4)12-10-13(3)9-6-2/h6,13-14H,2,5,7-12H2,1,3-4H3
InChIKeyNEKHDGYBUWDUCU-UHFFFAOYSA-N
MW212.38 g/mol
LogP3.22
Rot. Bonds10

About 1-methyl-1-(3-methylhex-5-enyl)-2-pentylhydrazine

1-methyl-1-(3-methylhex-5-enyl)-2-pentylhydrazine (PubChem CID 174857707) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-methyl-1-(3-methylhex-5-enyl)-2-pentylhydrazine.

Molecular Properties

Compound Name1-methyl-1-(3-methylhex-5-enyl)-2-pentylhydrazine
PubChem CID174857707
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-methyl-1-(3-methylhex-5-enyl)-2-pentylhydrazine
SMILESC=CCC(C)CCN(C)NCCCCC
InChIInChI=1S/C13H28N2/c1-5-7-8-11-14-15(4)12-10-13(3)9-6-2/h6,13-14H,2,5,7-12H2,1,3-4H3
InChIKeyNEKHDGYBUWDUCU-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 53.22
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-enyl)-2-pentylhydrazine?
The IUPAC name of 1-methyl-1-(3-methylhex-5-enyl)-2-pentylhydrazine (CID 174857707) is 1-methyl-1-(3-methylhex-5-enyl)-2-pentylhydrazine.
What is the SMILES notation for 1-methyl-1-(3-methylhex-5-enyl)-2-pentylhydrazine?
The canonical SMILES for 1-methyl-1-(3-methylhex-5-enyl)-2-pentylhydrazine is C=CCC(C)CCN(C)NCCCCC.
What is the InChIKey of 1-methyl-1-(3-methylhex-5-enyl)-2-pentylhydrazine?
The InChIKey is NEKHDGYBUWDUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-7-8-11-14-15(4)12-10-13(3)9-6-2/h6,13-14H,2,5,7-12H2,1,3-4H3.
What are the key properties of 1-methyl-1-(3-methylhex-5-enyl)-2-pentylhydrazine?
1-methyl-1-(3-methylhex-5-enyl)-2-pentylhydrazine has a molecular weight of 212.38 g/mol, XLogP of 3.22, 10 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-enyl)-2-pentylhydrazine is sourced from PubChem (CID 174857707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).