1-(3-ethylheptan-3-yl)-1-propylhydrazine;tetradecanoic acid

C26H56N2O2 — CID 174950510

IUPAC1-(3-ethylheptan-3-yl)-1-propylhydrazine;tetradecanoic acid
SMILESCCCCC(CC)(CC)N(N)CCC.CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H28O2.C12H28N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-5-9-10-12(7-3,8-4)14(13)11-6-2/h2-13H2,1H3,(H,15,16);5-11,13H2,1-4H3
InChIKeyCMCWLCJJIDODQG-UHFFFAOYSA-N
MW428.75 g/mol
LogP8.09
Rot. Bonds20

About 1-(3-ethylheptan-3-yl)-1-propylhydrazine;tetradecanoic acid

1-(3-ethylheptan-3-yl)-1-propylhydrazine;tetradecanoic acid (PubChem CID 174950510) has the molecular formula C26H56N2O2 and a molecular weight of 428.75 g/mol. Its IUPAC name is 1-(3-ethylheptan-3-yl)-1-propylhydrazine;tetradecanoic acid.

Molecular Properties

Compound Name1-(3-ethylheptan-3-yl)-1-propylhydrazine;tetradecanoic acid
PubChem CID174950510
Molecular FormulaC26H56N2O2
Molecular Weight428.75 g/mol
Exact Mass428.43
IUPAC Name1-(3-ethylheptan-3-yl)-1-propylhydrazine;tetradecanoic acid
SMILESCCCCC(CC)(CC)N(N)CCC.CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H28O2.C12H28N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-5-9-10-12(7-3,8-4)14(13)11-6-2/h2-13H2,1H3,(H,15,16);5-11,13H2,1-4H3
InChIKeyCMCWLCJJIDODQG-UHFFFAOYSA-N
XLogP8.09
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.75
LogP ≤ 58.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

azane;carbamic acid;hexadecanoic acid
CID 174832395
carbamic acid;docosanoic acid
CID 170310073
azane;bis(dodecanoic acid)
CID 173380144
azane;hexacosanoic acid
CID 173436690
CID 87141446
CID 87141446
dodecanamide;hexanoic acid
CID 19807771
dodecanamide;dodecanoic acid
CID 23079031
calcium;hydride;bis(octanoic acid)
CID 174951959
calcium;hydride;nonacosanoic acid
CID 173321722
azane;octadecanoic acid;zinc
CID 175418700
calcium;dodecanoic acid;hydride
CID 172998116
calcium;hydride;tritriacontanoic acid
CID 173321714

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylheptan-3-yl)-1-propylhydrazine;tetradecanoic acid?
The IUPAC name of 1-(3-ethylheptan-3-yl)-1-propylhydrazine;tetradecanoic acid (CID 174950510) is 1-(3-ethylheptan-3-yl)-1-propylhydrazine;tetradecanoic acid.
What is the SMILES notation for 1-(3-ethylheptan-3-yl)-1-propylhydrazine;tetradecanoic acid?
The canonical SMILES for 1-(3-ethylheptan-3-yl)-1-propylhydrazine;tetradecanoic acid is CCCCC(CC)(CC)N(N)CCC.CCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 1-(3-ethylheptan-3-yl)-1-propylhydrazine;tetradecanoic acid?
The InChIKey is CMCWLCJJIDODQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.C12H28N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-5-9-10-12(7-3,8-4)14(13)11-6-2/h2-13H2,1H3,(H,15,16);5-11,13H2,1-4H3.
What are the key properties of 1-(3-ethylheptan-3-yl)-1-propylhydrazine;tetradecanoic acid?
1-(3-ethylheptan-3-yl)-1-propylhydrazine;tetradecanoic acid has a molecular weight of 428.75 g/mol, XLogP of 8.09, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylheptan-3-yl)-1-propylhydrazine;tetradecanoic acid is sourced from PubChem (CID 174950510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).