4-(dimethylamino)-1-methoxybutan-2-ol

C7H17NO2 — CID 115345876

IUPAC4-(dimethylamino)-1-methoxybutan-2-ol
SMILESCOCC(O)CCN(C)C
InChIInChI=1S/C7H17NO2/c1-8(2)5-4-7(9)6-10-3/h7,9H,4-6H2,1-3H3
InChIKeyIZHFSYRKMXMECP-UHFFFAOYSA-N
MW147.22 g/mol
LogP-0.05
Rot. Bonds5

About 4-(dimethylamino)-1-methoxybutan-2-ol

4-(dimethylamino)-1-methoxybutan-2-ol (PubChem CID 115345876) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 4-(dimethylamino)-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-(dimethylamino)-1-methoxybutan-2-ol
PubChem CID115345876
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name4-(dimethylamino)-1-methoxybutan-2-ol
SMILESCOCC(O)CCN(C)C
InChIInChI=1S/C7H17NO2/c1-8(2)5-4-7(9)6-10-3/h7,9H,4-6H2,1-3H3
InChIKeyIZHFSYRKMXMECP-UHFFFAOYSA-N
XLogP-0.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(dimethylamino)-1-methoxybutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(dimethylamino)propyl-methylamino]-3-methoxypropan-2-ol
CID 63928362
1-[2-(dimethylamino)ethyl-propylamino]-3-methoxypropan-2-ol
CID 63929215
4-[2-(3-hydroxy-4-methoxybutoxy)ethoxy]-1-methoxybutan-2-ol
CID 177262211
(2R,5S)-6-methoxyhexane-1,2,5-triol
CID 130342864
4-[8-(3-hydroxy-4-methoxybutoxy)octoxy]-1-methoxybutan-2-ol
CID 177262274
4-[2-hydroxy-3-(3-hydroxy-4-methoxybutoxy)propoxy]-1-methoxybutan-2-ol
CID 177262204
1,5-dimethoxypentane-2,4-diol
CID 88937884
1-[(dimethylamino)methyl-propylamino]-3-methoxypropan-2-ol
CID 123595558
1-methoxy-5-propoxypentan-2-ol
CID 106455960
1-fluoro-3-methoxypropan-2-ol
CID 53422469
3-(dimethylamino)propane-1,1-diol;hydrochloride
CID 173336782
(2S)-1-(18F)fluoro-3-methoxypropan-2-ol
CID 122413426

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-methoxybutan-2-ol?
The IUPAC name of 4-(dimethylamino)-1-methoxybutan-2-ol (CID 115345876) is 4-(dimethylamino)-1-methoxybutan-2-ol.
What is the SMILES notation for 4-(dimethylamino)-1-methoxybutan-2-ol?
The canonical SMILES for 4-(dimethylamino)-1-methoxybutan-2-ol is COCC(O)CCN(C)C.
What is the InChIKey of 4-(dimethylamino)-1-methoxybutan-2-ol?
The InChIKey is IZHFSYRKMXMECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-8(2)5-4-7(9)6-10-3/h7,9H,4-6H2,1-3H3.
What are the key properties of 4-(dimethylamino)-1-methoxybutan-2-ol?
4-(dimethylamino)-1-methoxybutan-2-ol has a molecular weight of 147.22 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-methoxybutan-2-ol is sourced from PubChem (CID 115345876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).