N-tert-butyl-2-methylpropan-2-amine;hydrochloride

C8H20ClN — CID 12507332

IUPACN-tert-butyl-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(C)NC(C)(C)C.Cl
InChIInChI=1S/C8H19N.ClH/c1-7(2,3)9-8(4,5)6;/h9H,1-6H3;1H
InChIKeyMOLDZOIISGAJFP-UHFFFAOYSA-N
MW165.71 g/mol
LogP2.59
Rot. Bonds

About N-tert-butyl-2-methylpropan-2-amine;hydrochloride

N-tert-butyl-2-methylpropan-2-amine;hydrochloride (PubChem CID 12507332) has the molecular formula C8H20ClN and a molecular weight of 165.71 g/mol. Its IUPAC name is N-tert-butyl-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-tert-butyl-2-methylpropan-2-amine;hydrochloride
PubChem CID12507332
Molecular FormulaC8H20ClN
Molecular Weight165.71 g/mol
Exact Mass165.13
IUPAC NameN-tert-butyl-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(C)NC(C)(C)C.Cl
InChIInChI=1S/C8H19N.ClH/c1-7(2,3)9-8(4,5)6;/h9H,1-6H3;1H
InChIKeyMOLDZOIISGAJFP-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.71
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of N-tert-butyl-2-methylpropan-2-amine;hydrochloride (CID 12507332) is N-tert-butyl-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for N-tert-butyl-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for N-tert-butyl-2-methylpropan-2-amine;hydrochloride is CC(C)(C)NC(C)(C)C.Cl.
What is the InChIKey of N-tert-butyl-2-methylpropan-2-amine;hydrochloride?
The InChIKey is MOLDZOIISGAJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.ClH/c1-7(2,3)9-8(4,5)6;/h9H,1-6H3;1H.
What are the key properties of N-tert-butyl-2-methylpropan-2-amine;hydrochloride?
N-tert-butyl-2-methylpropan-2-amine;hydrochloride has a molecular weight of 165.71 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 12507332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).