3-methyl-1-(5-methyldodecan-5-yl)azetidin-3-ol

C17H35NO — CID 139320078

IUPAC3-methyl-1-(5-methyldodecan-5-yl)azetidin-3-ol
SMILESCCCCCCCC(C)(CCCC)N1CC(C)(O)C1
InChIInChI=1S/C17H35NO/c1-5-7-9-10-11-13-16(3,12-8-6-2)18-14-17(4,19)15-18/h19H,5-15H2,1-4H3
InChIKeyPXVURAYBAQCZKH-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.36
Rot. Bonds10

About 3-methyl-1-(5-methyldodecan-5-yl)azetidin-3-ol

3-methyl-1-(5-methyldodecan-5-yl)azetidin-3-ol (PubChem CID 139320078) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 3-methyl-1-(5-methyldodecan-5-yl)azetidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-(5-methyldodecan-5-yl)azetidin-3-ol
PubChem CID139320078
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name3-methyl-1-(5-methyldodecan-5-yl)azetidin-3-ol
SMILESCCCCCCCC(C)(CCCC)N1CC(C)(O)C1
InChIInChI=1S/C17H35NO/c1-5-7-9-10-11-13-16(3,12-8-6-2)18-14-17(4,19)15-18/h19H,5-15H2,1-4H3
InChIKeyPXVURAYBAQCZKH-UHFFFAOYSA-N
XLogP4.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(7-methyltetradecan-7-yl)-1,3-diazetidine
CID 139436879
1-(7-methyltridecan-7-yl)pyrrolidine
CID 131990775
4-(5-methyldodecan-5-yl)morpholine
CID 138551223
1-(7-methyltridecan-7-yl)-3-prop-1-enyl-3-propylazetidine
CID 170265109
1-(6-methyldodecan-6-yl)azetidin-3-amine
CID 130337700
1-methyl-4-(6-methylundecan-6-yl)piperazine
CID 170232998
1-(5-methyldecan-5-yl)azetidine-3-carboxylic acid
CID 154981972
3,3-difluoro-1-(5-methylnonan-5-yl)pyrrolidine
CID 146621719
2-(4-ethyl-4-methylpiperidin-1-yl)-2-methyloctan-1-amine
CID 63465976
2-(4,4-dimethylpiperidin-1-yl)-2-methylheptan-1-amine
CID 80557474
1-(7-methyltridecan-7-yl)pyrrolidine-3-carboxylic acid
CID 138747066
5,5,6,6-tetramethyltridecane
CID 173349107

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-methyldodecan-5-yl)azetidin-3-ol?
The IUPAC name of 3-methyl-1-(5-methyldodecan-5-yl)azetidin-3-ol (CID 139320078) is 3-methyl-1-(5-methyldodecan-5-yl)azetidin-3-ol.
What is the SMILES notation for 3-methyl-1-(5-methyldodecan-5-yl)azetidin-3-ol?
The canonical SMILES for 3-methyl-1-(5-methyldodecan-5-yl)azetidin-3-ol is CCCCCCCC(C)(CCCC)N1CC(C)(O)C1.
What is the InChIKey of 3-methyl-1-(5-methyldodecan-5-yl)azetidin-3-ol?
The InChIKey is PXVURAYBAQCZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-5-7-9-10-11-13-16(3,12-8-6-2)18-14-17(4,19)15-18/h19H,5-15H2,1-4H3.
What are the key properties of 3-methyl-1-(5-methyldodecan-5-yl)azetidin-3-ol?
3-methyl-1-(5-methyldodecan-5-yl)azetidin-3-ol has a molecular weight of 269.47 g/mol, XLogP of 4.36, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5-methyldodecan-5-yl)azetidin-3-ol is sourced from PubChem (CID 139320078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).