carbanide;ethane;ethanol;N,N,2-trimethylpropan-2-amine

C13H36NO- — CID 160615904

IUPACcarbanide;ethane;ethanol;N,N,2-trimethylpropan-2-amine
SMILESCC.CC.CCO.CN(C)C(C)(C)C.[CH3-]
InChIInChI=1S/C6H15N.C2H6O.2C2H6.CH3/c1-6(2,3)7(4)5;1-2-3;2*1-2;/h1-5H3;3H,2H2,1H3;2*1-2H3;1H3/q;;;;-1
InChIKeyRGBWJDUYQJSJKF-UHFFFAOYSA-N
MW222.44 g/mol
LogP3.85
Rot. Bonds

About carbanide;ethane;ethanol;N,N,2-trimethylpropan-2-amine

carbanide;ethane;ethanol;N,N,2-trimethylpropan-2-amine (PubChem CID 160615904) has the molecular formula C13H36NO- and a molecular weight of 222.44 g/mol. Its IUPAC name is carbanide;ethane;ethanol;N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Namecarbanide;ethane;ethanol;N,N,2-trimethylpropan-2-amine
PubChem CID160615904
Molecular FormulaC13H36NO-
Molecular Weight222.44 g/mol
Exact Mass222.28
IUPAC Namecarbanide;ethane;ethanol;N,N,2-trimethylpropan-2-amine
SMILESCC.CC.CCO.CN(C)C(C)(C)C.[CH3-]
InChIInChI=1S/C6H15N.C2H6O.2C2H6.CH3/c1-6(2,3)7(4)5;1-2-3;2*1-2;/h1-5H3;3H,2H2,1H3;2*1-2H3;1H3/q;;;;-1
InChIKeyRGBWJDUYQJSJKF-UHFFFAOYSA-N
XLogP3.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N,2-trimethylpropan-2-amine;hydrobromide
CID 175344669
CID 175177684
CID 175177684
(2S)-2-(dimethylamino)-2-methylbutan-1-ol
CID 130124788
ethanol;N-methyl-N-silylmethanamine
CID 157294716
CID 173079153
CID 173079153
ethanol;propane
CID 158736248
ethanol;methanol
CID 157119827
ethanol;stibane
CID 170920077
ethanol;hydron
CID 174459614
ethanol;phosphane
CID 159788730
ethanol;tin(2+)
CID 162004830
ethanol;titanium
CID 25200198

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;ethanol;N,N,2-trimethylpropan-2-amine?
The IUPAC name of carbanide;ethane;ethanol;N,N,2-trimethylpropan-2-amine (CID 160615904) is carbanide;ethane;ethanol;N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for carbanide;ethane;ethanol;N,N,2-trimethylpropan-2-amine?
The canonical SMILES for carbanide;ethane;ethanol;N,N,2-trimethylpropan-2-amine is CC.CC.CCO.CN(C)C(C)(C)C.[CH3-].
What is the InChIKey of carbanide;ethane;ethanol;N,N,2-trimethylpropan-2-amine?
The InChIKey is RGBWJDUYQJSJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2H6O.2C2H6.CH3/c1-6(2,3)7(4)5;1-2-3;2*1-2;/h1-5H3;3H,2H2,1H3;2*1-2H3;1H3/q;;;;-1.
What are the key properties of carbanide;ethane;ethanol;N,N,2-trimethylpropan-2-amine?
carbanide;ethane;ethanol;N,N,2-trimethylpropan-2-amine has a molecular weight of 222.44 g/mol, XLogP of 3.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;ethanol;N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 160615904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).