[3-[(4-methylpentylamino)methyl]oxetan-3-yl]methanol

C11H23NO2 — CID 115249052

IUPAC[3-[(4-methylpentylamino)methyl]oxetan-3-yl]methanol
SMILESCC(C)CCCNCC1(CO)COC1
InChIInChI=1S/C11H23NO2/c1-10(2)4-3-5-12-6-11(7-13)8-14-9-11/h10,12-13H,3-9H2,1-2H3
InChIKeyCJLRIAMNHQTQPS-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.02
Rot. Bonds7

About [3-[(4-methylpentylamino)methyl]oxetan-3-yl]methanol

[3-[(4-methylpentylamino)methyl]oxetan-3-yl]methanol (PubChem CID 115249052) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is [3-[(4-methylpentylamino)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(4-methylpentylamino)methyl]oxetan-3-yl]methanol
PubChem CID115249052
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name[3-[(4-methylpentylamino)methyl]oxetan-3-yl]methanol
SMILESCC(C)CCCNCC1(CO)COC1
InChIInChI=1S/C11H23NO2/c1-10(2)4-3-5-12-6-11(7-13)8-14-9-11/h10,12-13H,3-9H2,1-2H3
InChIKeyCJLRIAMNHQTQPS-UHFFFAOYSA-N
XLogP1.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-Dimethyl-3-(4-methylpentylamino)propan-1-ol
CID 57607155
2,2-Dimethyl-3-(3-methylpentylamino)propan-1-ol
CID 59978046
3-(4-Methylpentylamino)propan-1-ol
CID 61669131
1-(4-Methylpentylamino)propane-1,3-diol
CID 89003602
(2R)-2-[(2,2-dimethylpropylamino)methyl]pentan-1-ol
CID 89750766
(2S)-2-[(2,2-dimethylpropylamino)methyl]pentan-1-ol
CID 89750822
[3-[(2,2-Dimethylpropylamino)methyl]oxetan-3-yl]methanol
CID 115248946
[3-[(Pentan-3-ylamino)methyl]oxetan-3-yl]methanol
CID 138623331
2-[[[(1S)-1-methoxy-4-methylpentyl]amino]methyl]-4-methylpentan-1-ol
CID 163633376
[[(2R)-3-methylbutan-2-yl]amino]-(3-methyloxetan-3-yl)methanol
CID 167135266
1-(5,5-Dimethylhexylamino)-3-ethoxypropan-1-ol
CID 170232304
Ethane;[3-(ethylaminomethyl)oxetan-3-yl]methanol
CID 177317468

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methylpentylamino)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(4-methylpentylamino)methyl]oxetan-3-yl]methanol (CID 115249052) is [3-[(4-methylpentylamino)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(4-methylpentylamino)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(4-methylpentylamino)methyl]oxetan-3-yl]methanol is CC(C)CCCNCC1(CO)COC1.
What is the InChIKey of [3-[(4-methylpentylamino)methyl]oxetan-3-yl]methanol?
The InChIKey is CJLRIAMNHQTQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(2)4-3-5-12-6-11(7-13)8-14-9-11/h10,12-13H,3-9H2,1-2H3.
What are the key properties of [3-[(4-methylpentylamino)methyl]oxetan-3-yl]methanol?
[3-[(4-methylpentylamino)methyl]oxetan-3-yl]methanol has a molecular weight of 201.31 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methylpentylamino)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 115249052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).