4,4-dimethylpentyl-methyl-prop-2-enylazanium

C11H24N+ — CID 58300792

IUPAC4,4-dimethylpentyl-methyl-prop-2-enylazanium
SMILESC=CC[NH+](C)CCCC(C)(C)C
InChIInChI=1S/C11H23N/c1-6-9-12(5)10-7-8-11(2,3)4/h6H,1,7-10H2,2-5H3/p+1
InChIKeyPJVVHUXNFCILLN-UHFFFAOYSA-O
MW170.32 g/mol
LogP1.51
Rot. Bonds5

About 4,4-dimethylpentyl-methyl-prop-2-enylazanium

4,4-dimethylpentyl-methyl-prop-2-enylazanium (PubChem CID 58300792) has the molecular formula C11H24N+ and a molecular weight of 170.32 g/mol. Its IUPAC name is 4,4-dimethylpentyl-methyl-prop-2-enylazanium.

Molecular Properties

Compound Name4,4-dimethylpentyl-methyl-prop-2-enylazanium
PubChem CID58300792
Molecular FormulaC11H24N+
Molecular Weight170.32 g/mol
Exact Mass170.19
IUPAC Name4,4-dimethylpentyl-methyl-prop-2-enylazanium
SMILESC=CC[NH+](C)CCCC(C)(C)C
InChIInChI=1S/C11H23N/c1-6-9-12(5)10-7-8-11(2,3)4/h6H,1,7-10H2,2-5H3/p+1
InChIKeyPJVVHUXNFCILLN-UHFFFAOYSA-O
XLogP1.51
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpentyl-methyl-prop-2-enylazanium?
The IUPAC name of 4,4-dimethylpentyl-methyl-prop-2-enylazanium (CID 58300792) is 4,4-dimethylpentyl-methyl-prop-2-enylazanium.
What is the SMILES notation for 4,4-dimethylpentyl-methyl-prop-2-enylazanium?
The canonical SMILES for 4,4-dimethylpentyl-methyl-prop-2-enylazanium is C=CC[NH+](C)CCCC(C)(C)C.
What is the InChIKey of 4,4-dimethylpentyl-methyl-prop-2-enylazanium?
The InChIKey is PJVVHUXNFCILLN-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H23N/c1-6-9-12(5)10-7-8-11(2,3)4/h6H,1,7-10H2,2-5H3/p+1.
What are the key properties of 4,4-dimethylpentyl-methyl-prop-2-enylazanium?
4,4-dimethylpentyl-methyl-prop-2-enylazanium has a molecular weight of 170.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpentyl-methyl-prop-2-enylazanium is sourced from PubChem (CID 58300792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).