4-amino-2,2-dimethylbutan-1-ol;hydrochloride

C6H16ClNO — CID 87601111

IUPAC4-amino-2,2-dimethylbutan-1-ol;hydrochloride
SMILESCC(C)(CO)CCN.Cl
InChIInChI=1S/C6H15NO.ClH/c1-6(2,5-8)3-4-7;/h8H,3-5,7H2,1-2H3;1H
InChIKeyRJCOQJDTVYQNGM-UHFFFAOYSA-N
MW153.65 g/mol
LogP0.78
Rot. Bonds3

About 4-amino-2,2-dimethylbutan-1-ol;hydrochloride

4-amino-2,2-dimethylbutan-1-ol;hydrochloride (PubChem CID 87601111) has the molecular formula C6H16ClNO and a molecular weight of 153.65 g/mol. Its IUPAC name is 4-amino-2,2-dimethylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name4-amino-2,2-dimethylbutan-1-ol;hydrochloride
PubChem CID87601111
Molecular FormulaC6H16ClNO
Molecular Weight153.65 g/mol
Exact Mass153.09
IUPAC Name4-amino-2,2-dimethylbutan-1-ol;hydrochloride
SMILESCC(C)(CO)CCN.Cl
InChIInChI=1S/C6H15NO.ClH/c1-6(2,5-8)3-4-7;/h8H,3-5,7H2,1-2H3;1H
InChIKeyRJCOQJDTVYQNGM-UHFFFAOYSA-N
XLogP0.78
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.65
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Amino-2-methyl-1-butanol
CID 10129911
4-Amino-3-methylbutan-1-ol
CID 11332423
2-(Aminomethyl)-3,3-dimethylbutan-1-ol
CID 12622589
(R)-4-Amino-2-methyl-1-butanol
CID 11457670
3,3-Dimethyl-4-(methylamino)butan-1-ol
CID 71757766
2-(Aminomethyl)-2-methylbutan-1-ol
CID 20461810
2,2-Dimethyl-4-(methylamino)butan-1-ol
CID 20662413
4-Amino-2,2-dimethylbutan-1-ol
CID 55253832
4-Amino-3,3-dimethylbutan-1-ol
CID 55290156
(2S)-1-amino-3,3-dimethylbutan-2-ol hydrochloride
CID 91654401
3-Amino-2,2-dimethylbutan-1-ol hydrochloride
CID 132371558
(2R)-1-amino-3,3-dimethylbutan-2-ol hydrochloride
CID 137838100

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2-dimethylbutan-1-ol;hydrochloride?
The IUPAC name of 4-amino-2,2-dimethylbutan-1-ol;hydrochloride (CID 87601111) is 4-amino-2,2-dimethylbutan-1-ol;hydrochloride.
What is the SMILES notation for 4-amino-2,2-dimethylbutan-1-ol;hydrochloride?
The canonical SMILES for 4-amino-2,2-dimethylbutan-1-ol;hydrochloride is CC(C)(CO)CCN.Cl.
What is the InChIKey of 4-amino-2,2-dimethylbutan-1-ol;hydrochloride?
The InChIKey is RJCOQJDTVYQNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.ClH/c1-6(2,5-8)3-4-7;/h8H,3-5,7H2,1-2H3;1H.
What are the key properties of 4-amino-2,2-dimethylbutan-1-ol;hydrochloride?
4-amino-2,2-dimethylbutan-1-ol;hydrochloride has a molecular weight of 153.65 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2-dimethylbutan-1-ol;hydrochloride is sourced from PubChem (CID 87601111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).