N-[2-[3-[3-(2,2-dimethylpropyl)cyclobutyl]oxypropoxy]ethyl]-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine

C22H43NO3 — CID 153484493

IUPACN-[2-[3-[3-(2,2-dimethylpropyl)cyclobutyl]oxypropoxy]ethyl]-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
SMILESCC(C)(C)CC1CC(OCCCOCCNC2CC(OC(C)(C)C)C2)C1
InChIInChI=1S/C22H43NO3/c1-21(2,3)16-17-12-19(13-17)25-10-7-9-24-11-8-23-18-14-20(15-18)26-22(4,5)6/h17-20,23H,7-16H2,1-6H3
InChIKeyBTPWTBIKZGQREW-UHFFFAOYSA-N
MW369.59 g/mol
LogP4.56
Rot. Bonds11

About N-[2-[3-[3-(2,2-dimethylpropyl)cyclobutyl]oxypropoxy]ethyl]-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine

N-[2-[3-[3-(2,2-dimethylpropyl)cyclobutyl]oxypropoxy]ethyl]-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine (PubChem CID 153484493) has the molecular formula C22H43NO3 and a molecular weight of 369.59 g/mol. Its IUPAC name is N-[2-[3-[3-(2,2-dimethylpropyl)cyclobutyl]oxypropoxy]ethyl]-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine.

Molecular Properties

Compound NameN-[2-[3-[3-(2,2-dimethylpropyl)cyclobutyl]oxypropoxy]ethyl]-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
PubChem CID153484493
Molecular FormulaC22H43NO3
Molecular Weight369.59 g/mol
Exact Mass369.32
IUPAC NameN-[2-[3-[3-(2,2-dimethylpropyl)cyclobutyl]oxypropoxy]ethyl]-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
SMILESCC(C)(C)CC1CC(OCCCOCCNC2CC(OC(C)(C)C)C2)C1
InChIInChI=1S/C22H43NO3/c1-21(2,3)16-17-12-19(13-17)25-10-7-9-24-11-8-23-18-14-20(15-18)26-22(4,5)6/h17-20,23H,7-16H2,1-6H3
InChIKeyBTPWTBIKZGQREW-UHFFFAOYSA-N
XLogP4.56
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.59
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[2-[3-[3-(2,2-dimethylpropyl)cyclobutyl]oxypropoxy]ethyl]-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine?
The IUPAC name of N-[2-[3-[3-(2,2-dimethylpropyl)cyclobutyl]oxypropoxy]ethyl]-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine (CID 153484493) is N-[2-[3-[3-(2,2-dimethylpropyl)cyclobutyl]oxypropoxy]ethyl]-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine.
What is the SMILES notation for N-[2-[3-[3-(2,2-dimethylpropyl)cyclobutyl]oxypropoxy]ethyl]-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine?
The canonical SMILES for N-[2-[3-[3-(2,2-dimethylpropyl)cyclobutyl]oxypropoxy]ethyl]-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine is CC(C)(C)CC1CC(OCCCOCCNC2CC(OC(C)(C)C)C2)C1.
What is the InChIKey of N-[2-[3-[3-(2,2-dimethylpropyl)cyclobutyl]oxypropoxy]ethyl]-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine?
The InChIKey is BTPWTBIKZGQREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO3/c1-21(2,3)16-17-12-19(13-17)25-10-7-9-24-11-8-23-18-14-20(15-18)26-22(4,5)6/h17-20,23H,7-16H2,1-6H3.
What are the key properties of N-[2-[3-[3-(2,2-dimethylpropyl)cyclobutyl]oxypropoxy]ethyl]-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine?
N-[2-[3-[3-(2,2-dimethylpropyl)cyclobutyl]oxypropoxy]ethyl]-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine has a molecular weight of 369.59 g/mol, XLogP of 4.56, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[3-(2,2-dimethylpropyl)cyclobutyl]oxypropoxy]ethyl]-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine is sourced from PubChem (CID 153484493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).