azane;cyclohexylcyclohexane;dodecanoic acid

C24H49NO2 — CID 173305260

IUPACazane;cyclohexylcyclohexane;dodecanoic acid
SMILESC1CCC(C2CCCCC2)CC1.CCCCCCCCCCCC(=O)O.N
InChIInChI=1S/C12H24O2.C12H22.H3N/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h2-11H2,1H3,(H,13,14);11-12H,1-10H2;1H3
InChIKeySQPZRVDAYJAGAG-UHFFFAOYSA-N
MW383.66 g/mol
LogP8.30
Rot. Bonds11

About azane;cyclohexylcyclohexane;dodecanoic acid

azane;cyclohexylcyclohexane;dodecanoic acid (PubChem CID 173305260) has the molecular formula C24H49NO2 and a molecular weight of 383.66 g/mol. Its IUPAC name is azane;cyclohexylcyclohexane;dodecanoic acid.

Molecular Properties

Compound Nameazane;cyclohexylcyclohexane;dodecanoic acid
PubChem CID173305260
Molecular FormulaC24H49NO2
Molecular Weight383.66 g/mol
Exact Mass383.38
IUPAC Nameazane;cyclohexylcyclohexane;dodecanoic acid
SMILESC1CCC(C2CCCCC2)CC1.CCCCCCCCCCCC(=O)O.N
InChIInChI=1S/C12H24O2.C12H22.H3N/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h2-11H2,1H3,(H,13,14);11-12H,1-10H2;1H3
InChIKeySQPZRVDAYJAGAG-UHFFFAOYSA-N
XLogP8.30
TPSA72.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.66
LogP ≤ 58.30
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

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CID 175985554
azane;bis(dodecanoic acid)
CID 173380144
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barium(2+);octadecanoic acid
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CID 175418700
barium(2+);hydride;tridecanoic acid
CID 174792677
potassium;barium(2+);hexadecanoic acid;octadecanoic acid
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CID 87792095
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024

Frequently Asked Questions

What is the IUPAC name of azane;cyclohexylcyclohexane;dodecanoic acid?
The IUPAC name of azane;cyclohexylcyclohexane;dodecanoic acid (CID 173305260) is azane;cyclohexylcyclohexane;dodecanoic acid.
What is the SMILES notation for azane;cyclohexylcyclohexane;dodecanoic acid?
The canonical SMILES for azane;cyclohexylcyclohexane;dodecanoic acid is C1CCC(C2CCCCC2)CC1.CCCCCCCCCCCC(=O)O.N.
What is the InChIKey of azane;cyclohexylcyclohexane;dodecanoic acid?
The InChIKey is SQPZRVDAYJAGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.C12H22.H3N/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h2-11H2,1H3,(H,13,14);11-12H,1-10H2;1H3.
What are the key properties of azane;cyclohexylcyclohexane;dodecanoic acid?
azane;cyclohexylcyclohexane;dodecanoic acid has a molecular weight of 383.66 g/mol, XLogP of 8.30, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;cyclohexylcyclohexane;dodecanoic acid is sourced from PubChem (CID 173305260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).