3-(6-methyldodecan-6-yloxy)cyclobutan-1-amine

C17H35NO — CID 130315015

IUPAC3-(6-methyldodecan-6-yloxy)cyclobutan-1-amine
SMILESCCCCCCC(C)(CCCCC)OC1CC(N)C1
InChIInChI=1S/C17H35NO/c1-4-6-8-10-12-17(3,11-9-7-5-2)19-16-13-15(18)14-16/h15-16H,4-14,18H2,1-3H3
InChIKeyUHYXYGUJMGYMEX-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.80
Rot. Bonds11

About 3-(6-methyldodecan-6-yloxy)cyclobutan-1-amine

3-(6-methyldodecan-6-yloxy)cyclobutan-1-amine (PubChem CID 130315015) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 3-(6-methyldodecan-6-yloxy)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(6-methyldodecan-6-yloxy)cyclobutan-1-amine
PubChem CID130315015
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name3-(6-methyldodecan-6-yloxy)cyclobutan-1-amine
SMILESCCCCCCC(C)(CCCCC)OC1CC(N)C1
InChIInChI=1S/C17H35NO/c1-4-6-8-10-12-17(3,11-9-7-5-2)19-16-13-15(18)14-16/h15-16H,4-14,18H2,1-3H3
InChIKeyUHYXYGUJMGYMEX-UHFFFAOYSA-N
XLogP4.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.80
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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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyldodecan-6-yloxy)cyclobutan-1-amine?
The IUPAC name of 3-(6-methyldodecan-6-yloxy)cyclobutan-1-amine (CID 130315015) is 3-(6-methyldodecan-6-yloxy)cyclobutan-1-amine.
What is the SMILES notation for 3-(6-methyldodecan-6-yloxy)cyclobutan-1-amine?
The canonical SMILES for 3-(6-methyldodecan-6-yloxy)cyclobutan-1-amine is CCCCCCC(C)(CCCCC)OC1CC(N)C1.
What is the InChIKey of 3-(6-methyldodecan-6-yloxy)cyclobutan-1-amine?
The InChIKey is UHYXYGUJMGYMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-4-6-8-10-12-17(3,11-9-7-5-2)19-16-13-15(18)14-16/h15-16H,4-14,18H2,1-3H3.
What are the key properties of 3-(6-methyldodecan-6-yloxy)cyclobutan-1-amine?
3-(6-methyldodecan-6-yloxy)cyclobutan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.80, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyldodecan-6-yloxy)cyclobutan-1-amine is sourced from PubChem (CID 130315015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).