methyl-propan-2-ylidene-propoxyazanium

C7H16NO+ — CID 123552002

IUPACmethyl-propan-2-ylidene-propoxyazanium
SMILESCCCO[N+](C)=C(C)C
InChIInChI=1S/C7H16NO/c1-5-6-9-8(4)7(2)3/h5-6H2,1-4H3/q+1
InChIKeyQDTKJHDMVFDBNC-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.45
Rot. Bonds3

About methyl-propan-2-ylidene-propoxyazanium

methyl-propan-2-ylidene-propoxyazanium (PubChem CID 123552002) has the molecular formula C7H16NO+ and a molecular weight of 130.21 g/mol. Its IUPAC name is methyl-propan-2-ylidene-propoxyazanium.

Molecular Properties

Compound Namemethyl-propan-2-ylidene-propoxyazanium
PubChem CID123552002
Molecular FormulaC7H16NO+
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Namemethyl-propan-2-ylidene-propoxyazanium
SMILESCCCO[N+](C)=C(C)C
InChIInChI=1S/C7H16NO/c1-5-6-9-8(4)7(2)3/h5-6H2,1-4H3/q+1
InChIKeyQDTKJHDMVFDBNC-UHFFFAOYSA-N
XLogP1.45
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-propan-2-ylidene-propoxyazanium?
The IUPAC name of methyl-propan-2-ylidene-propoxyazanium (CID 123552002) is methyl-propan-2-ylidene-propoxyazanium.
What is the SMILES notation for methyl-propan-2-ylidene-propoxyazanium?
The canonical SMILES for methyl-propan-2-ylidene-propoxyazanium is CCCO[N+](C)=C(C)C.
What is the InChIKey of methyl-propan-2-ylidene-propoxyazanium?
The InChIKey is QDTKJHDMVFDBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO/c1-5-6-9-8(4)7(2)3/h5-6H2,1-4H3/q+1.
What are the key properties of methyl-propan-2-ylidene-propoxyazanium?
methyl-propan-2-ylidene-propoxyazanium has a molecular weight of 130.21 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-propan-2-ylidene-propoxyazanium is sourced from PubChem (CID 123552002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).