butanoate;dicyclohexylazanium

C16H31NO2 — CID 141420564

IUPACbutanoate;dicyclohexylazanium
SMILESC1CCC([NH2+]C2CCCCC2)CC1.CCCC(=O)[O-]
InChIInChI=1S/C12H23N.C4H8O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3-4(5)6/h11-13H,1-10H2;2-3H2,1H3,(H,5,6)
InChIKeyUNXLIRBVXJCWHD-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.75
Rot. Bonds4

About butanoate;dicyclohexylazanium

butanoate;dicyclohexylazanium (PubChem CID 141420564) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is butanoate;dicyclohexylazanium.

Molecular Properties

Compound Namebutanoate;dicyclohexylazanium
PubChem CID141420564
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Namebutanoate;dicyclohexylazanium
SMILESC1CCC([NH2+]C2CCCCC2)CC1.CCCC(=O)[O-]
InChIInChI=1S/C12H23N.C4H8O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3-4(5)6/h11-13H,1-10H2;2-3H2,1H3,(H,5,6)
InChIKeyUNXLIRBVXJCWHD-UHFFFAOYSA-N
XLogP1.75
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

butanoate;1-methylpiperidin-1-ium
CID 67303574
silver butanoate
CID 14944495
tetrapotassium;butanoate
CID 140982885
strontium butanoate
CID 19035288
butanoate;bis(rhodium(3+))
CID 173415846
butanoate;ytterbium(2+)
CID 88777454
butanoate;tin(4+)
CID 159447903
potassium butanoate
CID 23677461
magnesium butanoate
CID 6453218
butanoate;titanium(2+);acetate
CID 87845450
disodium;butanoate;hydroxide
CID 173219323
butanoate;silicon(4+);titanium(4+)
CID 158800899

Frequently Asked Questions

What is the IUPAC name of butanoate;dicyclohexylazanium?
The IUPAC name of butanoate;dicyclohexylazanium (CID 141420564) is butanoate;dicyclohexylazanium.
What is the SMILES notation for butanoate;dicyclohexylazanium?
The canonical SMILES for butanoate;dicyclohexylazanium is C1CCC([NH2+]C2CCCCC2)CC1.CCCC(=O)[O-].
What is the InChIKey of butanoate;dicyclohexylazanium?
The InChIKey is UNXLIRBVXJCWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C4H8O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3-4(5)6/h11-13H,1-10H2;2-3H2,1H3,(H,5,6).
What are the key properties of butanoate;dicyclohexylazanium?
butanoate;dicyclohexylazanium has a molecular weight of 269.43 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanoate;dicyclohexylazanium is sourced from PubChem (CID 141420564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).