but-1-enyl-dimethyl-(2,3,3-trimethylpentyl)azanium

C14H30N+ — CID 123499958

IUPACbut-1-enyl-dimethyl-(2,3,3-trimethylpentyl)azanium
SMILESCCC=C[N+](C)(C)CC(C)C(C)(C)CC
InChIInChI=1S/C14H30N/c1-8-10-11-15(6,7)12-13(3)14(4,5)9-2/h10-11,13H,8-9,12H2,1-7H3/q+1
InChIKeyKPQBJXFCHNHPRU-UHFFFAOYSA-N
MW212.40 g/mol
LogP4.06
Rot. Bonds6

About but-1-enyl-dimethyl-(2,3,3-trimethylpentyl)azanium

but-1-enyl-dimethyl-(2,3,3-trimethylpentyl)azanium (PubChem CID 123499958) has the molecular formula C14H30N+ and a molecular weight of 212.40 g/mol. Its IUPAC name is but-1-enyl-dimethyl-(2,3,3-trimethylpentyl)azanium.

Molecular Properties

Compound Namebut-1-enyl-dimethyl-(2,3,3-trimethylpentyl)azanium
PubChem CID123499958
Molecular FormulaC14H30N+
Molecular Weight212.40 g/mol
Exact Mass212.24
IUPAC Namebut-1-enyl-dimethyl-(2,3,3-trimethylpentyl)azanium
SMILESCCC=C[N+](C)(C)CC(C)C(C)(C)CC
InChIInChI=1S/C14H30N/c1-8-10-11-15(6,7)12-13(3)14(4,5)9-2/h10-11,13H,8-9,12H2,1-7H3/q+1
InChIKeyKPQBJXFCHNHPRU-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.40
LogP ≤ 54.06
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 but-1-enyl-dimethyl-(2,3,3-trimethylpentyl)azanium?
The IUPAC name of but-1-enyl-dimethyl-(2,3,3-trimethylpentyl)azanium (CID 123499958) is but-1-enyl-dimethyl-(2,3,3-trimethylpentyl)azanium.
What is the SMILES notation for but-1-enyl-dimethyl-(2,3,3-trimethylpentyl)azanium?
The canonical SMILES for but-1-enyl-dimethyl-(2,3,3-trimethylpentyl)azanium is CCC=C[N+](C)(C)CC(C)C(C)(C)CC.
What is the InChIKey of but-1-enyl-dimethyl-(2,3,3-trimethylpentyl)azanium?
The InChIKey is KPQBJXFCHNHPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N/c1-8-10-11-15(6,7)12-13(3)14(4,5)9-2/h10-11,13H,8-9,12H2,1-7H3/q+1.
What are the key properties of but-1-enyl-dimethyl-(2,3,3-trimethylpentyl)azanium?
but-1-enyl-dimethyl-(2,3,3-trimethylpentyl)azanium has a molecular weight of 212.40 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-enyl-dimethyl-(2,3,3-trimethylpentyl)azanium is sourced from PubChem (CID 123499958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).