2-aminoethyl(2,2-dimethylpropyl)carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride

C10H20ClF3N2O4 — CID 90116446

IUPAC2-aminoethyl(2,2-dimethylpropyl)carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride
SMILESCC(C)(C)CN(CCN)C(=O)O.Cl.O=C(O)C(F)(F)F
InChIInChI=1S/C8H18N2O2.C2HF3O2.ClH/c1-8(2,3)6-10(5-4-9)7(11)12;3-2(4,5)1(6)7;/h4-6,9H2,1-3H3,(H,11,12);(H,6,7);1H
InChIKeyGVVVTUBVNPZKNL-UHFFFAOYSA-N
MW324.73 g/mol
LogP2.03
Rot. Bonds3

About 2-aminoethyl(2,2-dimethylpropyl)carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride

2-aminoethyl(2,2-dimethylpropyl)carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride (PubChem CID 90116446) has the molecular formula C10H20ClF3N2O4 and a molecular weight of 324.73 g/mol. Its IUPAC name is 2-aminoethyl(2,2-dimethylpropyl)carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride.

Molecular Properties

Compound Name2-aminoethyl(2,2-dimethylpropyl)carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride
PubChem CID90116446
Molecular FormulaC10H20ClF3N2O4
Molecular Weight324.73 g/mol
Exact Mass324.11
IUPAC Name2-aminoethyl(2,2-dimethylpropyl)carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride
SMILESCC(C)(C)CN(CCN)C(=O)O.Cl.O=C(O)C(F)(F)F
InChIInChI=1S/C8H18N2O2.C2HF3O2.ClH/c1-8(2,3)6-10(5-4-9)7(11)12;3-2(4,5)1(6)7;/h4-6,9H2,1-3H3,(H,11,12);(H,6,7);1H
InChIKeyGVVVTUBVNPZKNL-UHFFFAOYSA-N
XLogP2.03
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl(2,2-dimethylpropyl)carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride?
The IUPAC name of 2-aminoethyl(2,2-dimethylpropyl)carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride (CID 90116446) is 2-aminoethyl(2,2-dimethylpropyl)carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride.
What is the SMILES notation for 2-aminoethyl(2,2-dimethylpropyl)carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride?
The canonical SMILES for 2-aminoethyl(2,2-dimethylpropyl)carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride is CC(C)(C)CN(CCN)C(=O)O.Cl.O=C(O)C(F)(F)F.
What is the InChIKey of 2-aminoethyl(2,2-dimethylpropyl)carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride?
The InChIKey is GVVVTUBVNPZKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2.C2HF3O2.ClH/c1-8(2,3)6-10(5-4-9)7(11)12;3-2(4,5)1(6)7;/h4-6,9H2,1-3H3,(H,11,12);(H,6,7);1H.
What are the key properties of 2-aminoethyl(2,2-dimethylpropyl)carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride?
2-aminoethyl(2,2-dimethylpropyl)carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride has a molecular weight of 324.73 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl(2,2-dimethylpropyl)carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride is sourced from PubChem (CID 90116446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).