1,1-dideuterio-2,2-dimethylpropan-1-amine;hydrochloride

C5H14ClN — CID 175688733

IUPAC1,1-dideuterio-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCl.[2H]C([2H])(N)C(C)(C)C
InChIInChI=1S/C5H13N.ClH/c1-5(2,3)4-6;/h4,6H2,1-3H3;1H/i4D2;
InChIKeyFLICSJLQAITIQW-YLENYTFQSA-N
MW125.64 g/mol
LogP1.41
Rot. Bonds

About 1,1-dideuterio-2,2-dimethylpropan-1-amine;hydrochloride

1,1-dideuterio-2,2-dimethylpropan-1-amine;hydrochloride (PubChem CID 175688733) has the molecular formula C5H14ClN and a molecular weight of 125.64 g/mol. Its IUPAC name is 1,1-dideuterio-2,2-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1,1-dideuterio-2,2-dimethylpropan-1-amine;hydrochloride
PubChem CID175688733
Molecular FormulaC5H14ClN
Molecular Weight125.64 g/mol
Exact Mass125.09
IUPAC Name1,1-dideuterio-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCl.[2H]C([2H])(N)C(C)(C)C
InChIInChI=1S/C5H13N.ClH/c1-5(2,3)4-6;/h4,6H2,1-3H3;1H/i4D2;
InChIKeyFLICSJLQAITIQW-YLENYTFQSA-N
XLogP1.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.64
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Neopentylamine
CID 79882
2,2-Dimethyl-1,3-propanediamine
CID 81770
Isobutylamine Hydrochloride
CID 12206183
2-(Aminomethyl)-2-methyl-1,3-propanediamine
CID 4526530
Isobutylaminehydrochloride
CID 21133
2,2-Dimethylpropan-1-amine hydrochloride
CID 12422960
3-Fluoro-2,2-dimethylpropan-1-amine hydrochloride
CID 13422496
2-Fluoro-2-methylpropan-1-amine hydrochloride
CID 55289630
Neopentylamine Hydrobromide
CID 155859207
Neopentylamine Hydroiodide
CID 155859225
2,2-Dimethylpropane-1,1-diamine
CID 17905343
2-Chloro-2-methylpropan-1-amine
CID 19773518

Frequently Asked Questions

What is the IUPAC name of 1,1-dideuterio-2,2-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of 1,1-dideuterio-2,2-dimethylpropan-1-amine;hydrochloride (CID 175688733) is 1,1-dideuterio-2,2-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 1,1-dideuterio-2,2-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for 1,1-dideuterio-2,2-dimethylpropan-1-amine;hydrochloride is Cl.[2H]C([2H])(N)C(C)(C)C.
What is the InChIKey of 1,1-dideuterio-2,2-dimethylpropan-1-amine;hydrochloride?
The InChIKey is FLICSJLQAITIQW-YLENYTFQSA-N. The full InChI is InChI=1S/C5H13N.ClH/c1-5(2,3)4-6;/h4,6H2,1-3H3;1H/i4D2;.
What are the key properties of 1,1-dideuterio-2,2-dimethylpropan-1-amine;hydrochloride?
1,1-dideuterio-2,2-dimethylpropan-1-amine;hydrochloride has a molecular weight of 125.64 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dideuterio-2,2-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 175688733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).