2,2-dimethyl-N-(4-methylpentyl)-3-(2-methylpropoxy)cyclobutan-1-amine

C16H33NO — CID 64850594

IUPAC2,2-dimethyl-N-(4-methylpentyl)-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCC(C)CCCNC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C16H33NO/c1-12(2)8-7-9-17-14-10-15(16(14,5)6)18-11-13(3)4/h12-15,17H,7-11H2,1-6H3
InChIKeyHAEBUWBPZJSADD-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.85
Rot. Bonds8

About 2,2-dimethyl-N-(4-methylpentyl)-3-(2-methylpropoxy)cyclobutan-1-amine

2,2-dimethyl-N-(4-methylpentyl)-3-(2-methylpropoxy)cyclobutan-1-amine (PubChem CID 64850594) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-methylpentyl)-3-(2-methylpropoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-methylpentyl)-3-(2-methylpropoxy)cyclobutan-1-amine
PubChem CID64850594
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name2,2-dimethyl-N-(4-methylpentyl)-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCC(C)CCCNC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C16H33NO/c1-12(2)8-7-9-17-14-10-15(16(14,5)6)18-11-13(3)4/h12-15,17H,7-11H2,1-6H3
InChIKeyHAEBUWBPZJSADD-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.85
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 2,2-dimethyl-N-(4-methylpentyl)-3-(2-methylpropoxy)cyclobutan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(4-methylpentyl)-3-(2-methylpropoxy)cyclobutan-1-amine (CID 64850594) is 2,2-dimethyl-N-(4-methylpentyl)-3-(2-methylpropoxy)cyclobutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(4-methylpentyl)-3-(2-methylpropoxy)cyclobutan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(4-methylpentyl)-3-(2-methylpropoxy)cyclobutan-1-amine is CC(C)CCCNC1CC(OCC(C)C)C1(C)C.
What is the InChIKey of 2,2-dimethyl-N-(4-methylpentyl)-3-(2-methylpropoxy)cyclobutan-1-amine?
The InChIKey is HAEBUWBPZJSADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-12(2)8-7-9-17-14-10-15(16(14,5)6)18-11-13(3)4/h12-15,17H,7-11H2,1-6H3.
What are the key properties of 2,2-dimethyl-N-(4-methylpentyl)-3-(2-methylpropoxy)cyclobutan-1-amine?
2,2-dimethyl-N-(4-methylpentyl)-3-(2-methylpropoxy)cyclobutan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-methylpentyl)-3-(2-methylpropoxy)cyclobutan-1-amine is sourced from PubChem (CID 64850594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).