2-methyl-2-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]butan-1-ol

C13H27NO2 — CID 110011598

IUPAC2-methyl-2-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]butan-1-ol
SMILESCCC(C)(CO)NC1CC(OC(C)(C)C)C1
InChIInChI=1S/C13H27NO2/c1-6-13(5,9-15)14-10-7-11(8-10)16-12(2,3)4/h10-11,14-15H,6-9H2,1-5H3
InChIKeyMJRVGKIIJWWGEM-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.08
Rot. Bonds5

About 2-methyl-2-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]butan-1-ol

2-methyl-2-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]butan-1-ol (PubChem CID 110011598) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-methyl-2-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]butan-1-ol
PubChem CID110011598
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-methyl-2-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]butan-1-ol
SMILESCCC(C)(CO)NC1CC(OC(C)(C)C)C1
InChIInChI=1S/C13H27NO2/c1-6-13(5,9-15)14-10-7-11(8-10)16-12(2,3)4/h10-11,14-15H,6-9H2,1-5H3
InChIKeyMJRVGKIIJWWGEM-UHFFFAOYSA-N
XLogP2.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]propan-1-ol
CID 110010925
2,3-dimethyl-1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]pentan-2-ol
CID 110010568
methane;N-methyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
CID 158877825
1-ethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutane
CID 90210270
2-(cyclopropylamino)-3-ethoxy-2-methylpropan-1-ol
CID 64803244
2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylbutan-1-ol
CID 111434880
3-cyclopentyloxy-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64802401
2-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-1-ol
CID 64807526
N-(2-ethoxypropyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
CID 115972400
[1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]cyclopentyl]methanol
CID 110011599
2-(cyclopropylmethylamino)-2-methylbutan-1-ol
CID 61054003
2-(cyclopropylamino)-2-methyl-3-(oxolan-3-yloxy)propan-1-ol
CID 64808693

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]butan-1-ol?
The IUPAC name of 2-methyl-2-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]butan-1-ol (CID 110011598) is 2-methyl-2-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]butan-1-ol?
The canonical SMILES for 2-methyl-2-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]butan-1-ol is CCC(C)(CO)NC1CC(OC(C)(C)C)C1.
What is the InChIKey of 2-methyl-2-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]butan-1-ol?
The InChIKey is MJRVGKIIJWWGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-6-13(5,9-15)14-10-7-11(8-10)16-12(2,3)4/h10-11,14-15H,6-9H2,1-5H3.
What are the key properties of 2-methyl-2-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]butan-1-ol?
2-methyl-2-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]butan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]butan-1-ol is sourced from PubChem (CID 110011598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).