azane;5-butyldecane

C14H36N2 — CID 118324151

IUPACazane;5-butyldecane
SMILESCCCCCC(CCCC)CCCC.N.N
InChIInChI=1S/C14H30.2H3N/c1-4-7-10-13-14(11-8-5-2)12-9-6-3;;/h14H,4-13H2,1-3H3;2*1H3
InChIKeyMQLAQRZWDYBVLN-UHFFFAOYSA-N
MW232.46 g/mol
LogP5.89
Rot. Bonds10

About azane;5-butyldecane

azane;5-butyldecane (PubChem CID 118324151) has the molecular formula C14H36N2 and a molecular weight of 232.46 g/mol. Its IUPAC name is azane;5-butyldecane.

Molecular Properties

Compound Nameazane;5-butyldecane
PubChem CID118324151
Molecular FormulaC14H36N2
Molecular Weight232.46 g/mol
Exact Mass232.29
IUPAC Nameazane;5-butyldecane
SMILESCCCCCC(CCCC)CCCC.N.N
InChIInChI=1S/C14H30.2H3N/c1-4-7-10-13-14(11-8-5-2)12-9-6-3;;/h14H,4-13H2,1-3H3;2*1H3
InChIKeyMQLAQRZWDYBVLN-UHFFFAOYSA-N
XLogP5.89
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.46
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-butylhenicosane
CID 91802566
13-butyldotriacontane
CID 91613083
14-butylheptatriacontane
CID 91361474
16-butylhentriacontane
CID 91509035
11-pentylheptacosane
CID 91575569
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504
9-hexylicosane
CID 54443478
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023
17-pentylhexatriacontane
CID 91327833

Frequently Asked Questions

What is the IUPAC name of azane;5-butyldecane?
The IUPAC name of azane;5-butyldecane (CID 118324151) is azane;5-butyldecane.
What is the SMILES notation for azane;5-butyldecane?
The canonical SMILES for azane;5-butyldecane is CCCCCC(CCCC)CCCC.N.N.
What is the InChIKey of azane;5-butyldecane?
The InChIKey is MQLAQRZWDYBVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30.2H3N/c1-4-7-10-13-14(11-8-5-2)12-9-6-3;;/h14H,4-13H2,1-3H3;2*1H3.
What are the key properties of azane;5-butyldecane?
azane;5-butyldecane has a molecular weight of 232.46 g/mol, XLogP of 5.89, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;5-butyldecane is sourced from PubChem (CID 118324151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).