1-chloro-1-(dimethylamino)butan-1-ol

C6H14ClNO — CID 88807122

IUPAC1-chloro-1-(dimethylamino)butan-1-ol
SMILESCCCC(O)(Cl)N(C)C
InChIInChI=1S/C6H14ClNO/c1-4-5-6(7,9)8(2)3/h9H,4-5H2,1-3H3
InChIKeyKWGXJCLROAOPPQ-UHFFFAOYSA-N
MW151.64 g/mol
LogP1.23
Rot. Bonds3

About 1-chloro-1-(dimethylamino)butan-1-ol

1-chloro-1-(dimethylamino)butan-1-ol (PubChem CID 88807122) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is 1-chloro-1-(dimethylamino)butan-1-ol.

Molecular Properties

Compound Name1-chloro-1-(dimethylamino)butan-1-ol
PubChem CID88807122
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name1-chloro-1-(dimethylamino)butan-1-ol
SMILESCCCC(O)(Cl)N(C)C
InChIInChI=1S/C6H14ClNO/c1-4-5-6(7,9)8(2)3/h9H,4-5H2,1-3H3
InChIKeyKWGXJCLROAOPPQ-UHFFFAOYSA-N
XLogP1.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-1-(methylamino)pentan-2-ol
CID 174871544
1-N,1-N,1-N',1-N'-tetramethyl-1-silylbutane-1,1-diamine
CID 173426339
butane-1,1,1-triol;hydrochloride
CID 140976874
1-chloro-1,1-difluoro-2-(trifluoromethyl)pentan-2-ol
CID 53438326
1,1-dichloro-N,N-dimethyloctan-1-amine
CID 175456302
4,4-diethylheptane-3,3-diol
CID 22392674
2-(dimethylamino)heptadecan-2-ol
CID 57269512
1-(dipropylamino)-2-methylpentan-2-ol
CID 106291211
2-N,2-N-dimethyl-2-propylpentane-1,2-diamine
CID 24689392
4-propylhept-2-yn-4-ol
CID 54327279
2-hydroxy-2-methylpentanenitrile
CID 10898680
2-chloro-2-propylpentanoyl chloride
CID 14643541

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(dimethylamino)butan-1-ol?
The IUPAC name of 1-chloro-1-(dimethylamino)butan-1-ol (CID 88807122) is 1-chloro-1-(dimethylamino)butan-1-ol.
What is the SMILES notation for 1-chloro-1-(dimethylamino)butan-1-ol?
The canonical SMILES for 1-chloro-1-(dimethylamino)butan-1-ol is CCCC(O)(Cl)N(C)C.
What is the InChIKey of 1-chloro-1-(dimethylamino)butan-1-ol?
The InChIKey is KWGXJCLROAOPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClNO/c1-4-5-6(7,9)8(2)3/h9H,4-5H2,1-3H3.
What are the key properties of 1-chloro-1-(dimethylamino)butan-1-ol?
1-chloro-1-(dimethylamino)butan-1-ol has a molecular weight of 151.64 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(dimethylamino)butan-1-ol is sourced from PubChem (CID 88807122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).