ethyl-[2-(ethylamino)-2-methylpropyl]-dimethylazanium

C10H25N2+ — CID 123984846

IUPACethyl-[2-(ethylamino)-2-methylpropyl]-dimethylazanium
SMILESCCNC(C)(C)C[N+](C)(C)CC
InChIInChI=1S/C10H25N2/c1-7-11-10(3,4)9-12(5,6)8-2/h11H,7-9H2,1-6H3/q+1
InChIKeyJLSCHZRMORRXHO-UHFFFAOYSA-N
MW173.32 g/mol
LogP1.47
Rot. Bonds5

About ethyl-[2-(ethylamino)-2-methylpropyl]-dimethylazanium

ethyl-[2-(ethylamino)-2-methylpropyl]-dimethylazanium (PubChem CID 123984846) has the molecular formula C10H25N2+ and a molecular weight of 173.32 g/mol. Its IUPAC name is ethyl-[2-(ethylamino)-2-methylpropyl]-dimethylazanium.

Molecular Properties

Compound Nameethyl-[2-(ethylamino)-2-methylpropyl]-dimethylazanium
PubChem CID123984846
Molecular FormulaC10H25N2+
Molecular Weight173.32 g/mol
Exact Mass173.20
IUPAC Nameethyl-[2-(ethylamino)-2-methylpropyl]-dimethylazanium
SMILESCCNC(C)(C)C[N+](C)(C)CC
InChIInChI=1S/C10H25N2/c1-7-11-10(3,4)9-12(5,6)8-2/h11H,7-9H2,1-6H3/q+1
InChIKeyJLSCHZRMORRXHO-UHFFFAOYSA-N
XLogP1.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-ethyl-1-methoxy-2-methylpropan-2-amine
CID 177317291
2-(ethylamino)-2-methylpropan-1-ol
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CID 65041307
1-N-ethyl-2-N-[2-(ethylamino)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 134313991
N-ethyl-2-methyloctan-2-amine
CID 123477104
ethyl-dimethyl-(2,2,3,3-tetrafluoropropyl)azanium
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diethyl(dimethyl)azanium;bromide;hydrate
CID 174914404
2-(ethylamino)-2-methylpropan-1-ol;1,2,3,4,5,6-hexamethylbenzene;ruthenium(3+)
CID 56947660
N-ethyl-2,4,4,5,5,6-hexamethylheptan-2-amine
CID 129309764
N-ethyl-1-(4-ethylpiperazin-1-yl)-2-methylpropan-2-amine
CID 62834273
[2,2-dimethyl-3-[(2,4,4-trimethyl-2-sulfanylpentanoyl)amino]propyl]-ethyl-dimethylazanium;ethane
CID 143837795
N-ethyl-1,1-dimethoxyethanamine
CID 20509682

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(ethylamino)-2-methylpropyl]-dimethylazanium?
The IUPAC name of ethyl-[2-(ethylamino)-2-methylpropyl]-dimethylazanium (CID 123984846) is ethyl-[2-(ethylamino)-2-methylpropyl]-dimethylazanium.
What is the SMILES notation for ethyl-[2-(ethylamino)-2-methylpropyl]-dimethylazanium?
The canonical SMILES for ethyl-[2-(ethylamino)-2-methylpropyl]-dimethylazanium is CCNC(C)(C)C[N+](C)(C)CC.
What is the InChIKey of ethyl-[2-(ethylamino)-2-methylpropyl]-dimethylazanium?
The InChIKey is JLSCHZRMORRXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N2/c1-7-11-10(3,4)9-12(5,6)8-2/h11H,7-9H2,1-6H3/q+1.
What are the key properties of ethyl-[2-(ethylamino)-2-methylpropyl]-dimethylazanium?
ethyl-[2-(ethylamino)-2-methylpropyl]-dimethylazanium has a molecular weight of 173.32 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(ethylamino)-2-methylpropyl]-dimethylazanium is sourced from PubChem (CID 123984846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).