2-butoxy-2-(dimethylamino)ethanol

C8H19NO2 — CID 170554858

IUPAC2-butoxy-2-(dimethylamino)ethanol
SMILESCCCCOC(CO)N(C)C
InChIInChI=1S/C8H19NO2/c1-4-5-6-11-8(7-10)9(2)3/h8,10H,4-7H2,1-3H3
InChIKeyMQJMCPKDVHYLBG-UHFFFAOYSA-N
MW161.25 g/mol
LogP0.68
Rot. Bonds6

About 2-butoxy-2-(dimethylamino)ethanol

2-butoxy-2-(dimethylamino)ethanol (PubChem CID 170554858) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-butoxy-2-(dimethylamino)ethanol.

Molecular Properties

Compound Name2-butoxy-2-(dimethylamino)ethanol
PubChem CID170554858
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name2-butoxy-2-(dimethylamino)ethanol
SMILESCCCCOC(CO)N(C)C
InChIInChI=1S/C8H19NO2/c1-4-5-6-11-8(7-10)9(2)3/h8,10H,4-7H2,1-3H3
InChIKeyMQJMCPKDVHYLBG-UHFFFAOYSA-N
XLogP0.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-tetradecoxypropan-1-amine
CID 175405088
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 88651680
1-[1-(1-butoxyethoxy)ethoxy]butane;propane-1,2-diol
CID 87392981
2-[bis(2-hydroxyethyl)amino]-2-propoxyethanol
CID 141087616
3-(1-butoxyethoxy)propan-1-ol
CID 54457983
2-hexadecoxypropane-1,3-diol
CID 12924931
1-butoxyethoxymethanol
CID 19047949
N-butoxy-N-methylmethanamine
CID 19988586
(1R)-1-butoxy-2,2,2-trifluoroethanol
CID 102316577
4-(dimethylamino)-4-[(9Z,12Z)-octadeca-9,12-dienoxy]butan-2-ol
CID 87202784
1-(dimethylamino)-1-octadecoxypropan-2-ol
CID 87463227
2-butoxyethanol;2-butoxypropan-1-ol
CID 162121003

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-2-(dimethylamino)ethanol?
The IUPAC name of 2-butoxy-2-(dimethylamino)ethanol (CID 170554858) is 2-butoxy-2-(dimethylamino)ethanol.
What is the SMILES notation for 2-butoxy-2-(dimethylamino)ethanol?
The canonical SMILES for 2-butoxy-2-(dimethylamino)ethanol is CCCCOC(CO)N(C)C.
What is the InChIKey of 2-butoxy-2-(dimethylamino)ethanol?
The InChIKey is MQJMCPKDVHYLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-4-5-6-11-8(7-10)9(2)3/h8,10H,4-7H2,1-3H3.
What are the key properties of 2-butoxy-2-(dimethylamino)ethanol?
2-butoxy-2-(dimethylamino)ethanol has a molecular weight of 161.25 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-2-(dimethylamino)ethanol is sourced from PubChem (CID 170554858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).