3-amino-2-cyclobutyloxy-4-methylpentan-1-ol

C10H21NO2 — CID 114358246

IUPAC3-amino-2-cyclobutyloxy-4-methylpentan-1-ol
SMILESCC(C)C(N)C(CO)OC1CCC1
InChIInChI=1S/C10H21NO2/c1-7(2)10(11)9(6-12)13-8-4-3-5-8/h7-10,12H,3-6,11H2,1-2H3
InChIKeyVIXHRDBQSWKCCY-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.90
Rot. Bonds5

About 3-amino-2-cyclobutyloxy-4-methylpentan-1-ol

3-amino-2-cyclobutyloxy-4-methylpentan-1-ol (PubChem CID 114358246) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-amino-2-cyclobutyloxy-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-cyclobutyloxy-4-methylpentan-1-ol
PubChem CID114358246
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-amino-2-cyclobutyloxy-4-methylpentan-1-ol
SMILESCC(C)C(N)C(CO)OC1CCC1
InChIInChI=1S/C10H21NO2/c1-7(2)10(11)9(6-12)13-8-4-3-5-8/h7-10,12H,3-6,11H2,1-2H3
InChIKeyVIXHRDBQSWKCCY-UHFFFAOYSA-N
XLogP0.90
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpentan-1-ol
CID 102721949
3-Amino-4-methyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 114357805
3-Amino-4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol
CID 114358137
3-Amino-4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
CID 114358327
3-Amino-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol
CID 114358337
3-Amino-2-(2,2-difluoroethoxy)-4-methylpentan-1-ol
CID 114358361
3-Amino-4-methyl-2-(4,4,4-trifluorobutoxy)pentan-1-ol
CID 114358367
3-Amino-4-methyl-2-(3,3,3-trifluoropropoxy)pentan-1-ol
CID 114358372
1-Amino-3-(2-methylpentoxy)propan-2-ol
CID 21301787
(2RS, 3S)-3-amino-2-hydroxy-5-methylhexyl isoamyl ether
CID 86743184
3-Amino-1-pentoxybutan-2-ol
CID 88758682
[(3S)-3-amino-2-hydroxy-4-methylpentyl] acetate
CID 88870065

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclobutyloxy-4-methylpentan-1-ol?
The IUPAC name of 3-amino-2-cyclobutyloxy-4-methylpentan-1-ol (CID 114358246) is 3-amino-2-cyclobutyloxy-4-methylpentan-1-ol.
What is the SMILES notation for 3-amino-2-cyclobutyloxy-4-methylpentan-1-ol?
The canonical SMILES for 3-amino-2-cyclobutyloxy-4-methylpentan-1-ol is CC(C)C(N)C(CO)OC1CCC1.
What is the InChIKey of 3-amino-2-cyclobutyloxy-4-methylpentan-1-ol?
The InChIKey is VIXHRDBQSWKCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(2)10(11)9(6-12)13-8-4-3-5-8/h7-10,12H,3-6,11H2,1-2H3.
What are the key properties of 3-amino-2-cyclobutyloxy-4-methylpentan-1-ol?
3-amino-2-cyclobutyloxy-4-methylpentan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclobutyloxy-4-methylpentan-1-ol is sourced from PubChem (CID 114358246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).