dicyclohexylazanium

C12H24N+ — CID 3770554

IUPACdicyclohexylazanium
SMILESC1CCC([NH2+]C2CCCCC2)CC1
InChIInChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2/p+1
InChIKeyXBPCUCUWBYBCDP-UHFFFAOYSA-O
MW182.33 g/mol
LogP2.22
Rot. Bonds2

About dicyclohexylazanium

dicyclohexylazanium (PubChem CID 3770554) has the molecular formula C12H24N+ and a molecular weight of 182.33 g/mol. Its IUPAC name is dicyclohexylazanium.

Molecular Properties

Compound Namedicyclohexylazanium
PubChem CID3770554
Molecular FormulaC12H24N+
Molecular Weight182.33 g/mol
Exact Mass182.19
IUPAC Namedicyclohexylazanium
SMILESC1CCC([NH2+]C2CCCCC2)CC1
InChIInChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2/p+1
InChIKeyXBPCUCUWBYBCDP-UHFFFAOYSA-O
XLogP2.22
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of dicyclohexylazanium?
The IUPAC name of dicyclohexylazanium (CID 3770554) is dicyclohexylazanium.
What is the SMILES notation for dicyclohexylazanium?
The canonical SMILES for dicyclohexylazanium is C1CCC([NH2+]C2CCCCC2)CC1.
What is the InChIKey of dicyclohexylazanium?
The InChIKey is XBPCUCUWBYBCDP-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2/p+1.
What are the key properties of dicyclohexylazanium?
dicyclohexylazanium has a molecular weight of 182.33 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexylazanium is sourced from PubChem (CID 3770554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).