2-[cyclopropyl(3-methylbutyl)amino]-1-(oxolan-3-yl)ethanol

C14H27NO2 — CID 104752726

IUPAC2-[cyclopropyl(3-methylbutyl)amino]-1-(oxolan-3-yl)ethanol
SMILESCC(C)CCN(CC(O)C1CCOC1)C1CC1
InChIInChI=1S/C14H27NO2/c1-11(2)5-7-15(13-3-4-13)9-14(16)12-6-8-17-10-12/h11-14,16H,3-10H2,1-2H3
InChIKeyAYDSAYNXPOHDHN-UHFFFAOYSA-N
MW241.37 g/mol
LogP1.89
Rot. Bonds7

About 2-[cyclopropyl(3-methylbutyl)amino]-1-(oxolan-3-yl)ethanol

2-[cyclopropyl(3-methylbutyl)amino]-1-(oxolan-3-yl)ethanol (PubChem CID 104752726) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[cyclopropyl(3-methylbutyl)amino]-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-[cyclopropyl(3-methylbutyl)amino]-1-(oxolan-3-yl)ethanol
PubChem CID104752726
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[cyclopropyl(3-methylbutyl)amino]-1-(oxolan-3-yl)ethanol
SMILESCC(C)CCN(CC(O)C1CCOC1)C1CC1
InChIInChI=1S/C14H27NO2/c1-11(2)5-7-15(13-3-4-13)9-14(16)12-6-8-17-10-12/h11-14,16H,3-10H2,1-2H3
InChIKeyAYDSAYNXPOHDHN-UHFFFAOYSA-N
XLogP1.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(2-methylpropyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752635
2-[cyclopentyl(2-methylpropyl)amino]-1-(oxolan-3-yl)ethanol
CID 104753020
2-[2-methylpropyl(propan-2-yl)amino]-1-(oxolan-3-yl)ethanol
CID 104752686
N'-cyclopentyl-N-ethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104746803
2-[methyl(propyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752489
2-[cyclohexyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752424
2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752432
1-cyclopentyl-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol
CID 103159907
N',N'-bis(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 107869656
2-[2-(cyclopropylmethoxy)ethyl-methylamino]-1-(oxolan-3-yl)ethanol
CID 104753034
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(oxolan-3-yl)ethanol
CID 113449126
2-[butan-2-yl(2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol
CID 113449128

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(3-methylbutyl)amino]-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-[cyclopropyl(3-methylbutyl)amino]-1-(oxolan-3-yl)ethanol (CID 104752726) is 2-[cyclopropyl(3-methylbutyl)amino]-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-[cyclopropyl(3-methylbutyl)amino]-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-[cyclopropyl(3-methylbutyl)amino]-1-(oxolan-3-yl)ethanol is CC(C)CCN(CC(O)C1CCOC1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(3-methylbutyl)amino]-1-(oxolan-3-yl)ethanol?
The InChIKey is AYDSAYNXPOHDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)5-7-15(13-3-4-13)9-14(16)12-6-8-17-10-12/h11-14,16H,3-10H2,1-2H3.
What are the key properties of 2-[cyclopropyl(3-methylbutyl)amino]-1-(oxolan-3-yl)ethanol?
2-[cyclopropyl(3-methylbutyl)amino]-1-(oxolan-3-yl)ethanol has a molecular weight of 241.37 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(3-methylbutyl)amino]-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 104752726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).