2-[(dimethylamino)methyl]butan-1-ol;ethane;2-methoxy-N,N-dimethylethanamine

C16H42N2O2 — CID 163227922

IUPAC2-[(dimethylamino)methyl]butan-1-ol;ethane;2-methoxy-N,N-dimethylethanamine
SMILESCC.CC.CCC(CO)CN(C)C.COCCN(C)C
InChIInChI=1S/C7H17NO.C5H13NO.2C2H6/c1-4-7(6-9)5-8(2)3;1-6(2)4-5-7-3;2*1-2/h7,9H,4-6H2,1-3H3;4-5H2,1-3H3;2*1-2H3
InChIKeyLCRZUTVIFQPQQJ-UHFFFAOYSA-N
MW294.52 g/mol
LogP2.81
Rot. Bonds7

About 2-[(dimethylamino)methyl]butan-1-ol;ethane;2-methoxy-N,N-dimethylethanamine

2-[(dimethylamino)methyl]butan-1-ol;ethane;2-methoxy-N,N-dimethylethanamine (PubChem CID 163227922) has the molecular formula C16H42N2O2 and a molecular weight of 294.52 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]butan-1-ol;ethane;2-methoxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]butan-1-ol;ethane;2-methoxy-N,N-dimethylethanamine
PubChem CID163227922
Molecular FormulaC16H42N2O2
Molecular Weight294.52 g/mol
Exact Mass294.32
IUPAC Name2-[(dimethylamino)methyl]butan-1-ol;ethane;2-methoxy-N,N-dimethylethanamine
SMILESCC.CC.CCC(CO)CN(C)C.COCCN(C)C
InChIInChI=1S/C7H17NO.C5H13NO.2C2H6/c1-4-7(6-9)5-8(2)3;1-6(2)4-5-7-3;2*1-2/h7,9H,4-6H2,1-3H3;4-5H2,1-3H3;2*1-2H3
InChIKeyLCRZUTVIFQPQQJ-UHFFFAOYSA-N
XLogP2.81
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.52
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-methoxybutan-1-ol
CID 66058779
2-ethyl-5-methoxypentan-1-ol
CID 66059836
(2R)-2-ethyl-5-methoxypentan-1-ol
CID 59157920
2-[(dimethylamino)methyl]pentan-1-ol
CID 117241783
acetic acid;2-methoxy-N,N-dimethylethanamine
CID 173078438
3-[bis(2-methoxyethyl)amino]propane-1,2-diol
CID 78907099
1-[bis(2-methoxyethyl)amino]propan-2-ol
CID 59693413
methanesulfonic acid;2-methoxy-N,N-dimethylethanamine
CID 174574685
(6S)-6-ethyl-8-methoxy-N,N-dimethyloctan-1-amine
CID 118890313
(2R)-1-[ethyl(2-methoxyethyl)amino]propan-2-ol
CID 103935037
(2R,3S)-4-[2-methoxyethyl-[(2S,3R)-2,3,4-trihydroxybutyl]amino]butane-1,2,3-triol
CID 122500925
(2S)-1-[butan-2-yl(2-methoxyethyl)amino]propan-2-ol
CID 103935046

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]butan-1-ol;ethane;2-methoxy-N,N-dimethylethanamine?
The IUPAC name of 2-[(dimethylamino)methyl]butan-1-ol;ethane;2-methoxy-N,N-dimethylethanamine (CID 163227922) is 2-[(dimethylamino)methyl]butan-1-ol;ethane;2-methoxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(dimethylamino)methyl]butan-1-ol;ethane;2-methoxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[(dimethylamino)methyl]butan-1-ol;ethane;2-methoxy-N,N-dimethylethanamine is CC.CC.CCC(CO)CN(C)C.COCCN(C)C.
What is the InChIKey of 2-[(dimethylamino)methyl]butan-1-ol;ethane;2-methoxy-N,N-dimethylethanamine?
The InChIKey is LCRZUTVIFQPQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.C5H13NO.2C2H6/c1-4-7(6-9)5-8(2)3;1-6(2)4-5-7-3;2*1-2/h7,9H,4-6H2,1-3H3;4-5H2,1-3H3;2*1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]butan-1-ol;ethane;2-methoxy-N,N-dimethylethanamine?
2-[(dimethylamino)methyl]butan-1-ol;ethane;2-methoxy-N,N-dimethylethanamine has a molecular weight of 294.52 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]butan-1-ol;ethane;2-methoxy-N,N-dimethylethanamine is sourced from PubChem (CID 163227922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).