methanamine;naphthalene;triethyl(4-oxopentyl)azanium

C22H37N2O+ — CID 157435491

IUPACmethanamine;naphthalene;triethyl(4-oxopentyl)azanium
SMILESCC[N+](CC)(CC)CCCC(C)=O.CN.c1ccc2ccccc2c1
InChIInChI=1S/C11H24NO.C10H8.CH5N/c1-5-12(6-2,7-3)10-8-9-11(4)13;1-2-6-10-8-4-3-7-9(10)5-1;1-2/h5-10H2,1-4H3;1-8H;2H2,1H3/q+1;;
InChIKeyWTXIIRGZWHODCB-UHFFFAOYSA-N
MW345.55 g/mol
LogP4.65
Rot. Bonds7

About methanamine;naphthalene;triethyl(4-oxopentyl)azanium

methanamine;naphthalene;triethyl(4-oxopentyl)azanium (PubChem CID 157435491) has the molecular formula C22H37N2O+ and a molecular weight of 345.55 g/mol. Its IUPAC name is methanamine;naphthalene;triethyl(4-oxopentyl)azanium.

Molecular Properties

Compound Namemethanamine;naphthalene;triethyl(4-oxopentyl)azanium
PubChem CID157435491
Molecular FormulaC22H37N2O+
Molecular Weight345.55 g/mol
Exact Mass345.29
IUPAC Namemethanamine;naphthalene;triethyl(4-oxopentyl)azanium
SMILESCC[N+](CC)(CC)CCCC(C)=O.CN.c1ccc2ccccc2c1
InChIInChI=1S/C11H24NO.C10H8.CH5N/c1-5-12(6-2,7-3)10-8-9-11(4)13;1-2-6-10-8-4-3-7-9(10)5-1;1-2/h5-10H2,1-4H3;1-8H;2H2,1H3/q+1;;
InChIKeyWTXIIRGZWHODCB-UHFFFAOYSA-N
XLogP4.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.55
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl-dimethyl-(4-oxopentyl)azanium
CID 88869769
acetic acid;ethane;methanamine;naphthalene
CID 54016607
acetic acid;triethyl(2-phenylethyl)azanium
CID 174760523
ethane;5-naphthalen-2-ylpentan-2-one
CID 177221326
hexanediamide;naphthalene
CID 175366237
methane;naphthalene;propan-2-one
CID 159038766
carbamic acid;naphthalene
CID 162082147
5-phenylpentan-2-one
CID 16701
triethyl(3-phenylpropyl)azanium
CID 54135056
4-carbamoylpent-4-enyl(triethyl)azanium chloride
CID 87382787
methanamine;naphthalene
CID 19768161
anisole;hexadecan-2-one
CID 167511071

Frequently Asked Questions

What is the IUPAC name of methanamine;naphthalene;triethyl(4-oxopentyl)azanium?
The IUPAC name of methanamine;naphthalene;triethyl(4-oxopentyl)azanium (CID 157435491) is methanamine;naphthalene;triethyl(4-oxopentyl)azanium.
What is the SMILES notation for methanamine;naphthalene;triethyl(4-oxopentyl)azanium?
The canonical SMILES for methanamine;naphthalene;triethyl(4-oxopentyl)azanium is CC[N+](CC)(CC)CCCC(C)=O.CN.c1ccc2ccccc2c1.
What is the InChIKey of methanamine;naphthalene;triethyl(4-oxopentyl)azanium?
The InChIKey is WTXIIRGZWHODCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO.C10H8.CH5N/c1-5-12(6-2,7-3)10-8-9-11(4)13;1-2-6-10-8-4-3-7-9(10)5-1;1-2/h5-10H2,1-4H3;1-8H;2H2,1H3/q+1;;.
What are the key properties of methanamine;naphthalene;triethyl(4-oxopentyl)azanium?
methanamine;naphthalene;triethyl(4-oxopentyl)azanium has a molecular weight of 345.55 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;naphthalene;triethyl(4-oxopentyl)azanium is sourced from PubChem (CID 157435491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).