cyclopenta-1,3-dien-1-yl-tri(propan-2-yl)azanium

C14H26N+ — CID 18368633

IUPACcyclopenta-1,3-dien-1-yl-tri(propan-2-yl)azanium
SMILESCC(C)[N+](C1=CC=CC1)(C(C)C)C(C)C
InChIInChI=1S/C14H26N/c1-11(2)15(12(3)4,13(5)6)14-9-7-8-10-14/h7-9,11-13H,10H2,1-6H3/q+1
InChIKeyGCAFMKAXGJDIFT-UHFFFAOYSA-N
MW208.37 g/mol
LogP3.87
Rot. Bonds4

About cyclopenta-1,3-dien-1-yl-tri(propan-2-yl)azanium

cyclopenta-1,3-dien-1-yl-tri(propan-2-yl)azanium (PubChem CID 18368633) has the molecular formula C14H26N+ and a molecular weight of 208.37 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yl-tri(propan-2-yl)azanium.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yl-tri(propan-2-yl)azanium
PubChem CID18368633
Molecular FormulaC14H26N+
Molecular Weight208.37 g/mol
Exact Mass208.21
IUPAC Namecyclopenta-1,3-dien-1-yl-tri(propan-2-yl)azanium
SMILESCC(C)[N+](C1=CC=CC1)(C(C)C)C(C)C
InChIInChI=1S/C14H26N/c1-11(2)15(12(3)4,13(5)6)14-9-7-8-10-14/h7-9,11-13H,10H2,1-6H3/q+1
InChIKeyGCAFMKAXGJDIFT-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.37
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-dien-1-yl-tri(propan-2-yl)azanium?
The IUPAC name of cyclopenta-1,3-dien-1-yl-tri(propan-2-yl)azanium (CID 18368633) is cyclopenta-1,3-dien-1-yl-tri(propan-2-yl)azanium.
What is the SMILES notation for cyclopenta-1,3-dien-1-yl-tri(propan-2-yl)azanium?
The canonical SMILES for cyclopenta-1,3-dien-1-yl-tri(propan-2-yl)azanium is CC(C)[N+](C1=CC=CC1)(C(C)C)C(C)C.
What is the InChIKey of cyclopenta-1,3-dien-1-yl-tri(propan-2-yl)azanium?
The InChIKey is GCAFMKAXGJDIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N/c1-11(2)15(12(3)4,13(5)6)14-9-7-8-10-14/h7-9,11-13H,10H2,1-6H3/q+1.
What are the key properties of cyclopenta-1,3-dien-1-yl-tri(propan-2-yl)azanium?
cyclopenta-1,3-dien-1-yl-tri(propan-2-yl)azanium has a molecular weight of 208.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-yl-tri(propan-2-yl)azanium is sourced from PubChem (CID 18368633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).