4-amino-1-(dimethylamino)butan-2-ol;hydrochloride

C6H17ClN2O — CID 83967321

IUPAC4-amino-1-(dimethylamino)butan-2-ol;hydrochloride
SMILESCN(C)CC(O)CCN.Cl
InChIInChI=1S/C6H16N2O.ClH/c1-8(2)5-6(9)3-4-7;/h6,9H,3-5,7H2,1-2H3;1H
InChIKeyXNAWSBKKIIHWSI-UHFFFAOYSA-N
MW168.67 g/mol
LogP-0.32
Rot. Bonds4

About 4-amino-1-(dimethylamino)butan-2-ol;hydrochloride

4-amino-1-(dimethylamino)butan-2-ol;hydrochloride (PubChem CID 83967321) has the molecular formula C6H17ClN2O and a molecular weight of 168.67 g/mol. Its IUPAC name is 4-amino-1-(dimethylamino)butan-2-ol;hydrochloride.

Molecular Properties

Compound Name4-amino-1-(dimethylamino)butan-2-ol;hydrochloride
PubChem CID83967321
Molecular FormulaC6H17ClN2O
Molecular Weight168.67 g/mol
Exact Mass168.10
IUPAC Name4-amino-1-(dimethylamino)butan-2-ol;hydrochloride
SMILESCN(C)CC(O)CCN.Cl
InChIInChI=1S/C6H16N2O.ClH/c1-8(2)5-6(9)3-4-7;/h6,9H,3-5,7H2,1-2H3;1H
InChIKeyXNAWSBKKIIHWSI-UHFFFAOYSA-N
XLogP-0.32
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.67
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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bis(1-chloro-3-(dimethylamino)propan-2-ol);propane;dihydrochloride
CID 173321209
2-(2-aminoethylamino)ethanol;1,3-bis(dimethylamino)propan-2-ol
CID 18704362
4-amino-1-(N,2,4,5-tetramethylanilino)butan-2-ol
CID 117039116
(2R)-1-(dimethylamino)-3-sulfanylpropan-2-ol
CID 164542247
[(2R)-4-amino-2-hydroxybutyl]-trimethylazanium;chloride;hydrochloride
CID 155821322
(4-amino-2-hydroxybutyl)-trimethylazanium;chloride;hydrochloride
CID 3026354
1-N,1-N,2-trimethylpentane-1,3,5-triamine
CID 87352361
4-amino-1-[(5-chlorothiophen-2-yl)-methylamino]butan-2-ol
CID 117039086
4-amino-1-(3,4-difluoro-N-methylanilino)butan-2-ol
CID 117039096

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(dimethylamino)butan-2-ol;hydrochloride?
The IUPAC name of 4-amino-1-(dimethylamino)butan-2-ol;hydrochloride (CID 83967321) is 4-amino-1-(dimethylamino)butan-2-ol;hydrochloride.
What is the SMILES notation for 4-amino-1-(dimethylamino)butan-2-ol;hydrochloride?
The canonical SMILES for 4-amino-1-(dimethylamino)butan-2-ol;hydrochloride is CN(C)CC(O)CCN.Cl.
What is the InChIKey of 4-amino-1-(dimethylamino)butan-2-ol;hydrochloride?
The InChIKey is XNAWSBKKIIHWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O.ClH/c1-8(2)5-6(9)3-4-7;/h6,9H,3-5,7H2,1-2H3;1H.
What are the key properties of 4-amino-1-(dimethylamino)butan-2-ol;hydrochloride?
4-amino-1-(dimethylamino)butan-2-ol;hydrochloride has a molecular weight of 168.67 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(dimethylamino)butan-2-ol;hydrochloride is sourced from PubChem (CID 83967321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).