2-(4-amino-6-methylcyclohexa-2,4-diene-1-carbonyl)oxyethyl-diethylazanium

C14H25N2O2+ — CID 163413462

IUPAC2-(4-amino-6-methylcyclohexa-2,4-diene-1-carbonyl)oxyethyl-diethylazanium
SMILESCC[NH+](CC)CCOC(=O)C1C=CC(N)=CC1C
InChIInChI=1S/C14H24N2O2/c1-4-16(5-2)8-9-18-14(17)13-7-6-12(15)10-11(13)3/h6-7,10-11,13H,4-5,8-9,15H2,1-3H3/p+1
InChIKeyACKWEFZPYZHXGP-UHFFFAOYSA-O
MW253.37 g/mol
LogP0.12
Rot. Bonds6

About 2-(4-amino-6-methylcyclohexa-2,4-diene-1-carbonyl)oxyethyl-diethylazanium

2-(4-amino-6-methylcyclohexa-2,4-diene-1-carbonyl)oxyethyl-diethylazanium (PubChem CID 163413462) has the molecular formula C14H25N2O2+ and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(4-amino-6-methylcyclohexa-2,4-diene-1-carbonyl)oxyethyl-diethylazanium.

Molecular Properties

Compound Name2-(4-amino-6-methylcyclohexa-2,4-diene-1-carbonyl)oxyethyl-diethylazanium
PubChem CID163413462
Molecular FormulaC14H25N2O2+
Molecular Weight253.37 g/mol
Exact Mass253.19
IUPAC Name2-(4-amino-6-methylcyclohexa-2,4-diene-1-carbonyl)oxyethyl-diethylazanium
SMILESCC[NH+](CC)CCOC(=O)C1C=CC(N)=CC1C
InChIInChI=1S/C14H24N2O2/c1-4-16(5-2)8-9-18-14(17)13-7-6-12(15)10-11(13)3/h6-7,10-11,13H,4-5,8-9,15H2,1-3H3/p+1
InChIKeyACKWEFZPYZHXGP-UHFFFAOYSA-O
XLogP0.12
TPSA56.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylcyclohexa-2,4-diene-1-carbonyl)oxyethyl-diethylazanium?
The IUPAC name of 2-(4-amino-6-methylcyclohexa-2,4-diene-1-carbonyl)oxyethyl-diethylazanium (CID 163413462) is 2-(4-amino-6-methylcyclohexa-2,4-diene-1-carbonyl)oxyethyl-diethylazanium.
What is the SMILES notation for 2-(4-amino-6-methylcyclohexa-2,4-diene-1-carbonyl)oxyethyl-diethylazanium?
The canonical SMILES for 2-(4-amino-6-methylcyclohexa-2,4-diene-1-carbonyl)oxyethyl-diethylazanium is CC[NH+](CC)CCOC(=O)C1C=CC(N)=CC1C.
What is the InChIKey of 2-(4-amino-6-methylcyclohexa-2,4-diene-1-carbonyl)oxyethyl-diethylazanium?
The InChIKey is ACKWEFZPYZHXGP-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H24N2O2/c1-4-16(5-2)8-9-18-14(17)13-7-6-12(15)10-11(13)3/h6-7,10-11,13H,4-5,8-9,15H2,1-3H3/p+1.
What are the key properties of 2-(4-amino-6-methylcyclohexa-2,4-diene-1-carbonyl)oxyethyl-diethylazanium?
2-(4-amino-6-methylcyclohexa-2,4-diene-1-carbonyl)oxyethyl-diethylazanium has a molecular weight of 253.37 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylcyclohexa-2,4-diene-1-carbonyl)oxyethyl-diethylazanium is sourced from PubChem (CID 163413462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).