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

C15H29NO2 — CID 64850186

IUPACN-(3-ethenoxypropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESC=COCCCNC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C15H29NO2/c1-6-17-9-7-8-16-13-10-14(15(13,4)5)18-11-12(2)3/h6,12-14,16H,1,7-11H2,2-5H3
InChIKeySZVURGADTQISAC-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.97
Rot. Bonds9

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

N-(3-ethenoxypropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (PubChem CID 64850186) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-(3-ethenoxypropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(3-ethenoxypropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
PubChem CID64850186
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-(3-ethenoxypropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESC=COCCCNC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C15H29NO2/c1-6-17-9-7-8-16-13-10-14(15(13,4)5)18-11-12(2)3/h6,12-14,16H,1,7-11H2,2-5H3
InChIKeySZVURGADTQISAC-UHFFFAOYSA-N
XLogP2.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethenoxypropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The IUPAC name of N-(3-ethenoxypropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (CID 64850186) is N-(3-ethenoxypropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.
What is the SMILES notation for N-(3-ethenoxypropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The canonical SMILES for N-(3-ethenoxypropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is C=COCCCNC1CC(OCC(C)C)C1(C)C.
What is the InChIKey of N-(3-ethenoxypropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The InChIKey is SZVURGADTQISAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-6-17-9-7-8-16-13-10-14(15(13,4)5)18-11-12(2)3/h6,12-14,16H,1,7-11H2,2-5H3.
What are the key properties of N-(3-ethenoxypropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
N-(3-ethenoxypropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine has a molecular weight of 255.40 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenoxypropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is sourced from PubChem (CID 64850186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).