hexan-2-yl(pentyl)diazene

C11H24N2 — CID 141139949

IUPAChexan-2-yl(pentyl)diazene
SMILESCCCCC/N=N/C(C)CCCC
InChIInChI=1S/C11H24N2/c1-4-6-8-10-12-13-11(3)9-7-5-2/h11H,4-10H2,1-3H3/b13-12+
InChIKeyFFEIEQXXTMDBEK-OUKQBFOZSA-N
MW184.33 g/mol
LogP4.21
Rot. Bonds8

About hexan-2-yl(pentyl)diazene

hexan-2-yl(pentyl)diazene (PubChem CID 141139949) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is hexan-2-yl(pentyl)diazene.

Molecular Properties

Compound Namehexan-2-yl(pentyl)diazene
PubChem CID141139949
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Namehexan-2-yl(pentyl)diazene
SMILESCCCCC/N=N/C(C)CCCC
InChIInChI=1S/C11H24N2/c1-4-6-8-10-12-13-11(3)9-7-5-2/h11H,4-10H2,1-3H3/b13-12+
InChIKeyFFEIEQXXTMDBEK-OUKQBFOZSA-N
XLogP4.21
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

di(octan-2-yl)diazene
CID 139695075
2-(heptyldiazenyl)propanoic acid
CID 54527680
2-methoxypropan-2-yl(pentadecan-2-yl)diazene
CID 21387369
2-methoxypropan-2-yl(octan-2-yl)diazene
CID 21387116
ethyl 2-(heptyldiazenyl)propanoate
CID 54013440
2-chloropropan-2-yl(octan-2-yl)diazene
CID 21387185
3-chloro-2-methylheptane
CID 523767
10,11-bis[8-(aminodiazenyl)octyl]icosane
CID 121440814
ethane;hexane;2-methylhexane
CID 142051007
tributyl(methyl)phosphanium
CID 2760115
(2S)-2-azidononane
CID 102115708
(2R)-2-azidohexadecane
CID 174670947

Frequently Asked Questions

What is the IUPAC name of hexan-2-yl(pentyl)diazene?
The IUPAC name of hexan-2-yl(pentyl)diazene (CID 141139949) is hexan-2-yl(pentyl)diazene.
What is the SMILES notation for hexan-2-yl(pentyl)diazene?
The canonical SMILES for hexan-2-yl(pentyl)diazene is CCCCC/N=N/C(C)CCCC.
What is the InChIKey of hexan-2-yl(pentyl)diazene?
The InChIKey is FFEIEQXXTMDBEK-OUKQBFOZSA-N. The full InChI is InChI=1S/C11H24N2/c1-4-6-8-10-12-13-11(3)9-7-5-2/h11H,4-10H2,1-3H3/b13-12+.
What are the key properties of hexan-2-yl(pentyl)diazene?
hexan-2-yl(pentyl)diazene has a molecular weight of 184.33 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-2-yl(pentyl)diazene is sourced from PubChem (CID 141139949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).