2-[butan-2-yl(2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol

C13H27NO3 — CID 113449128

IUPAC2-[butan-2-yl(2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol
SMILESCCC(C)N(CCOC)CC(O)C1CCOC1
InChIInChI=1S/C13H27NO3/c1-4-11(2)14(6-8-16-3)9-13(15)12-5-7-17-10-12/h11-13,15H,4-10H2,1-3H3
InChIKeyKKPZRWDRORIHND-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.13
Rot. Bonds8

About 2-[butan-2-yl(2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol

2-[butan-2-yl(2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol (PubChem CID 113449128) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 2-[butan-2-yl(2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-[butan-2-yl(2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol
PubChem CID113449128
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name2-[butan-2-yl(2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol
SMILESCCC(C)N(CCOC)CC(O)C1CCOC1
InChIInChI=1S/C13H27NO3/c1-4-11(2)14(6-8-16-3)9-13(15)12-5-7-17-10-12/h11-13,15H,4-10H2,1-3H3
InChIKeyKKPZRWDRORIHND-UHFFFAOYSA-N
XLogP1.13
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(oxolan-3-yl)ethanol
CID 113449126
2-[3-methoxypropyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752833
2-[2-methylpropyl(propan-2-yl)amino]-1-(oxolan-3-yl)ethanol
CID 104752686
N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745513
2-[methyl(propyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752489
(2S)-1-[butan-2-yl(2-methoxyethyl)amino]propan-2-ol
CID 103935046
4-methoxy-1-(oxolan-3-yl)pentan-1-ol
CID 105097696
2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752432
2-(2-methoxyethylamino)-1-(oxolan-3-yl)ethanol
CID 62773174
2-[methyl(pentyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752525
2-[cyclopropyl(3-methylbutyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752726
2-[2-(cyclopropylmethoxy)ethyl-methylamino]-1-(oxolan-3-yl)ethanol
CID 104753034

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-[butan-2-yl(2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol (CID 113449128) is 2-[butan-2-yl(2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-[butan-2-yl(2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-[butan-2-yl(2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol is CCC(C)N(CCOC)CC(O)C1CCOC1.
What is the InChIKey of 2-[butan-2-yl(2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol?
The InChIKey is KKPZRWDRORIHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-4-11(2)14(6-8-16-3)9-13(15)12-5-7-17-10-12/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 2-[butan-2-yl(2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol?
2-[butan-2-yl(2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol has a molecular weight of 245.36 g/mol, XLogP of 1.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 113449128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).