2-methyl-5-[(3-methyloxetan-3-yl)methylamino]pentan-1-ol

C11H23NO2 — CID 106157430

IUPAC2-methyl-5-[(3-methyloxetan-3-yl)methylamino]pentan-1-ol
SMILESCC(CO)CCCNCC1(C)COC1
InChIInChI=1S/C11H23NO2/c1-10(6-13)4-3-5-12-7-11(2)8-14-9-11/h10,12-13H,3-9H2,1-2H3
InChIKeyJCQIYOCYIOMMKS-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.02
Rot. Bonds7

About 2-methyl-5-[(3-methyloxetan-3-yl)methylamino]pentan-1-ol

2-methyl-5-[(3-methyloxetan-3-yl)methylamino]pentan-1-ol (PubChem CID 106157430) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-methyl-5-[(3-methyloxetan-3-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-[(3-methyloxetan-3-yl)methylamino]pentan-1-ol
PubChem CID106157430
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-methyl-5-[(3-methyloxetan-3-yl)methylamino]pentan-1-ol
SMILESCC(CO)CCCNCC1(C)COC1
InChIInChI=1S/C11H23NO2/c1-10(6-13)4-3-5-12-7-11(2)8-14-9-11/h10,12-13H,3-9H2,1-2H3
InChIKeyJCQIYOCYIOMMKS-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

[3-[(4-methylpentylamino)methyl]oxetan-3-yl]methanol
CID 115249052
5-[(3-methyloxetan-3-yl)methylamino]pentanamide
CID 106233481
5-(butylamino)-2-methylpentan-1-ol
CID 106158336
N-[(3-methyloxetan-3-yl)methyl]-2-propan-2-ylsulfonylethanamine
CID 106724002
N-(fluoromethyl)-1-(3-methyloxetan-3-yl)methanamine
CID 134447413
(2R,6R)-2,6-dimethylheptane-1,7-diol
CID 10534981
2,6-dimethylheptane-1,7-diol
CID 12653721
2,7-dimethyloctane-1,8-diol
CID 11008425
methyl 3-[(5-hydroxy-4-methylpentyl)amino]-2-methylpropanoate
CID 106160216
5-(4-methoxybutylamino)-2-methylpentan-1-ol
CID 106160167
N-[(3-methyloxetan-3-yl)methyl]pent-3-yn-1-amine
CID 104807224
5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpentan-1-ol
CID 113352258

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-methyloxetan-3-yl)methylamino]pentan-1-ol?
The IUPAC name of 2-methyl-5-[(3-methyloxetan-3-yl)methylamino]pentan-1-ol (CID 106157430) is 2-methyl-5-[(3-methyloxetan-3-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 2-methyl-5-[(3-methyloxetan-3-yl)methylamino]pentan-1-ol?
The canonical SMILES for 2-methyl-5-[(3-methyloxetan-3-yl)methylamino]pentan-1-ol is CC(CO)CCCNCC1(C)COC1.
What is the InChIKey of 2-methyl-5-[(3-methyloxetan-3-yl)methylamino]pentan-1-ol?
The InChIKey is JCQIYOCYIOMMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(6-13)4-3-5-12-7-11(2)8-14-9-11/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 2-methyl-5-[(3-methyloxetan-3-yl)methylamino]pentan-1-ol?
2-methyl-5-[(3-methyloxetan-3-yl)methylamino]pentan-1-ol 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 2-methyl-5-[(3-methyloxetan-3-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 106157430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).