2-[cyclobutyl(oxan-4-ylmethyl)amino]ethanol

C12H23NO2 — CID 102676607

IUPAC2-[cyclobutyl(oxan-4-ylmethyl)amino]ethanol
SMILESOCCN(CC1CCOCC1)C1CCC1
InChIInChI=1S/C12H23NO2/c14-7-6-13(12-2-1-3-12)10-11-4-8-15-9-5-11/h11-12,14H,1-10H2
InChIKeyMRSWVWVYCYUXCJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.26
Rot. Bonds5

About 2-[cyclobutyl(oxan-4-ylmethyl)amino]ethanol

2-[cyclobutyl(oxan-4-ylmethyl)amino]ethanol (PubChem CID 102676607) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[cyclobutyl(oxan-4-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl(oxan-4-ylmethyl)amino]ethanol
PubChem CID102676607
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[cyclobutyl(oxan-4-ylmethyl)amino]ethanol
SMILESOCCN(CC1CCOCC1)C1CCC1
InChIInChI=1S/C12H23NO2/c14-7-6-13(12-2-1-3-12)10-11-4-8-15-9-5-11/h11-12,14H,1-10H2
InChIKeyMRSWVWVYCYUXCJ-UHFFFAOYSA-N
XLogP1.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62387321
methyl 2-[cyclopentyl(oxan-4-ylmethyl)amino]acetate
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2-[cyclohexyl-[[4-(methylamino)oxan-3-yl]methyl]amino]ethanol
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2-[butyl(oxan-4-yl)amino]ethanol
CID 63937119
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]cyclopentan-1-ol
CID 62610274
3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]oxan-4-one
CID 103057834
2-[cyclohexyl-[(4-methylmorpholin-2-yl)methyl]amino]ethanol
CID 112734144
N-(oxan-4-ylmethyl)-N-(2-propylpentyl)cyclohexanamine
CID 170209709
2-[(2-aminocycloheptyl)methyl-cyclobutylamino]ethanol
CID 102870978
2-[cyclobutyl(3,3-dimethylbutyl)amino]ethanol
CID 102676970
2-[2-hydroxyethyl(oxolan-3-ylmethyl)amino]ethanol
CID 62021134

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(oxan-4-ylmethyl)amino]ethanol?
The IUPAC name of 2-[cyclobutyl(oxan-4-ylmethyl)amino]ethanol (CID 102676607) is 2-[cyclobutyl(oxan-4-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl(oxan-4-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[cyclobutyl(oxan-4-ylmethyl)amino]ethanol is OCCN(CC1CCOCC1)C1CCC1.
What is the InChIKey of 2-[cyclobutyl(oxan-4-ylmethyl)amino]ethanol?
The InChIKey is MRSWVWVYCYUXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c14-7-6-13(12-2-1-3-12)10-11-4-8-15-9-5-11/h11-12,14H,1-10H2.
What are the key properties of 2-[cyclobutyl(oxan-4-ylmethyl)amino]ethanol?
2-[cyclobutyl(oxan-4-ylmethyl)amino]ethanol has a molecular weight of 213.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(oxan-4-ylmethyl)amino]ethanol is sourced from PubChem (CID 102676607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).