2,2-diethylbutan-1-amine;hydrochloride

C8H20ClN — CID 71756050

IUPAC2,2-diethylbutan-1-amine;hydrochloride
SMILESCCC(CC)(CC)CN.Cl
InChIInChI=1S/C8H19N.ClH/c1-4-8(5-2,6-3)7-9;/h4-7,9H2,1-3H3;1H
InChIKeyOORRFKKLNUOKGD-UHFFFAOYSA-N
MW165.71 g/mol
LogP2.58
Rot. Bonds4

About 2,2-diethylbutan-1-amine;hydrochloride

2,2-diethylbutan-1-amine;hydrochloride (PubChem CID 71756050) has the molecular formula C8H20ClN and a molecular weight of 165.71 g/mol. Its IUPAC name is 2,2-diethylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name2,2-diethylbutan-1-amine;hydrochloride
PubChem CID71756050
Molecular FormulaC8H20ClN
Molecular Weight165.71 g/mol
Exact Mass165.13
IUPAC Name2,2-diethylbutan-1-amine;hydrochloride
SMILESCCC(CC)(CC)CN.Cl
InChIInChI=1S/C8H19N.ClH/c1-4-8(5-2,6-3)7-9;/h4-7,9H2,1-3H3;1H
InChIKeyOORRFKKLNUOKGD-UHFFFAOYSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.71
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethylbutan-1-amine;hydrochloride?
The IUPAC name of 2,2-diethylbutan-1-amine;hydrochloride (CID 71756050) is 2,2-diethylbutan-1-amine;hydrochloride.
What is the SMILES notation for 2,2-diethylbutan-1-amine;hydrochloride?
The canonical SMILES for 2,2-diethylbutan-1-amine;hydrochloride is CCC(CC)(CC)CN.Cl.
What is the InChIKey of 2,2-diethylbutan-1-amine;hydrochloride?
The InChIKey is OORRFKKLNUOKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.ClH/c1-4-8(5-2,6-3)7-9;/h4-7,9H2,1-3H3;1H.
What are the key properties of 2,2-diethylbutan-1-amine;hydrochloride?
2,2-diethylbutan-1-amine;hydrochloride has a molecular weight of 165.71 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethylbutan-1-amine;hydrochloride is sourced from PubChem (CID 71756050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).