ethyl-methyl-prop-1-enyl-propylazanium

C9H20N+ — CID 175061205

IUPACethyl-methyl-prop-1-enyl-propylazanium
SMILESCC=C[N+](C)(CC)CCC
InChIInChI=1S/C9H20N/c1-5-8-10(4,7-3)9-6-2/h5,8H,6-7,9H2,1-4H3/q+1
InChIKeyPYNQLMKNBSRVGA-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.40
Rot. Bonds4

About ethyl-methyl-prop-1-enyl-propylazanium

ethyl-methyl-prop-1-enyl-propylazanium (PubChem CID 175061205) has the molecular formula C9H20N+ and a molecular weight of 142.27 g/mol. Its IUPAC name is ethyl-methyl-prop-1-enyl-propylazanium.

Molecular Properties

Compound Nameethyl-methyl-prop-1-enyl-propylazanium
PubChem CID175061205
Molecular FormulaC9H20N+
Molecular Weight142.27 g/mol
Exact Mass142.16
IUPAC Nameethyl-methyl-prop-1-enyl-propylazanium
SMILESCC=C[N+](C)(CC)CCC
InChIInChI=1S/C9H20N/c1-5-8-10(4,7-3)9-6-2/h5,8H,6-7,9H2,1-4H3/q+1
InChIKeyPYNQLMKNBSRVGA-UHFFFAOYSA-N
XLogP2.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethyl-methyl-prop-1-enyl-propylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl-prop-1-enyl-di(tetradecyl)azanium
CID 172679866
dimethyl-octadecyl-prop-1-enylazanium chloride
CID 141266493
but-2-enoyl-dimethyl-propylazanium
CID 88686695
N-ethyl-N-methylpropan-1-amine oxide
CID 102278866
methyl-tris(prop-1-enyl)azanium chloride
CID 168864666
dimethyl(dipropyl)azanium chloride
CID 19774441
methanidyl-dimethyl-propylazanium
CID 157375220
butane;but-2-ene;methane
CID 161391432
bromomethyl-ethyl-methyl-propylazanium
CID 123781135
ethyl-methyl-propan-2-yl-propylazanium
CID 87299517
ethyl-[17-(ethyl-methyl-propylazaniumyl)heptadecyl]-methyl-propylazanium
CID 15871992
ethyl-dimethyl-propylazanium hexafluorophosphate
CID 140620148

Frequently Asked Questions

What is the IUPAC name of ethyl-methyl-prop-1-enyl-propylazanium?
The IUPAC name of ethyl-methyl-prop-1-enyl-propylazanium (CID 175061205) is ethyl-methyl-prop-1-enyl-propylazanium.
What is the SMILES notation for ethyl-methyl-prop-1-enyl-propylazanium?
The canonical SMILES for ethyl-methyl-prop-1-enyl-propylazanium is CC=C[N+](C)(CC)CCC.
What is the InChIKey of ethyl-methyl-prop-1-enyl-propylazanium?
The InChIKey is PYNQLMKNBSRVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N/c1-5-8-10(4,7-3)9-6-2/h5,8H,6-7,9H2,1-4H3/q+1.
What are the key properties of ethyl-methyl-prop-1-enyl-propylazanium?
ethyl-methyl-prop-1-enyl-propylazanium has a molecular weight of 142.27 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methyl-prop-1-enyl-propylazanium is sourced from PubChem (CID 175061205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).