methyl-bis(prop-2-enyl)-prop-2-ynylazanium

C10H16N+ — CID 86018311

IUPACmethyl-bis(prop-2-enyl)-prop-2-ynylazanium
SMILESC#CC[N+](C)(CC=C)CC=C
InChIInChI=1S/C10H16N/c1-5-8-11(4,9-6-2)10-7-3/h1,6-7H,2-3,8-10H2,4H3/q+1
InChIKeyNVKHVGZXDHJCKD-UHFFFAOYSA-N
MW150.24 g/mol
LogP1.44
Rot. Bonds5

About methyl-bis(prop-2-enyl)-prop-2-ynylazanium

methyl-bis(prop-2-enyl)-prop-2-ynylazanium (PubChem CID 86018311) has the molecular formula C10H16N+ and a molecular weight of 150.24 g/mol. Its IUPAC name is methyl-bis(prop-2-enyl)-prop-2-ynylazanium.

Molecular Properties

Compound Namemethyl-bis(prop-2-enyl)-prop-2-ynylazanium
PubChem CID86018311
Molecular FormulaC10H16N+
Molecular Weight150.24 g/mol
Exact Mass150.13
IUPAC Namemethyl-bis(prop-2-enyl)-prop-2-ynylazanium
SMILESC#CC[N+](C)(CC=C)CC=C
InChIInChI=1S/C10H16N/c1-5-8-11(4,9-6-2)10-7-3/h1,6-7H,2-3,8-10H2,4H3/q+1
InChIKeyNVKHVGZXDHJCKD-UHFFFAOYSA-N
XLogP1.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.24
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-bis(prop-2-enyl)-prop-2-ynylazanium?
The IUPAC name of methyl-bis(prop-2-enyl)-prop-2-ynylazanium (CID 86018311) is methyl-bis(prop-2-enyl)-prop-2-ynylazanium.
What is the SMILES notation for methyl-bis(prop-2-enyl)-prop-2-ynylazanium?
The canonical SMILES for methyl-bis(prop-2-enyl)-prop-2-ynylazanium is C#CC[N+](C)(CC=C)CC=C.
What is the InChIKey of methyl-bis(prop-2-enyl)-prop-2-ynylazanium?
The InChIKey is NVKHVGZXDHJCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N/c1-5-8-11(4,9-6-2)10-7-3/h1,6-7H,2-3,8-10H2,4H3/q+1.
What are the key properties of methyl-bis(prop-2-enyl)-prop-2-ynylazanium?
methyl-bis(prop-2-enyl)-prop-2-ynylazanium has a molecular weight of 150.24 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-bis(prop-2-enyl)-prop-2-ynylazanium is sourced from PubChem (CID 86018311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).