N-(5-methoxypentyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

C16H33NO2 — CID 103921156

IUPACN-(5-methoxypentyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCOCCCCCNC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C16H33NO2/c1-13(2)12-19-15-11-14(16(15,3)4)17-9-7-6-8-10-18-5/h13-15,17H,6-12H2,1-5H3
InChIKeyNRGHTIIQYJLLOO-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.23
Rot. Bonds10

About N-(5-methoxypentyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

N-(5-methoxypentyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (PubChem CID 103921156) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is N-(5-methoxypentyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(5-methoxypentyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
PubChem CID103921156
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC NameN-(5-methoxypentyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCOCCCCCNC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C16H33NO2/c1-13(2)12-19-15-11-14(16(15,3)4)17-9-7-6-8-10-18-5/h13-15,17H,6-12H2,1-5H3
InChIKeyNRGHTIIQYJLLOO-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyethoxy)propyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64853122
N-(2-cyclopentyloxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64850404
N-(3-cyclopentylpropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 106008631
2,2-dimethyl-N,3-bis(2-methylpropoxy)cyclobutan-1-amine
CID 82710964
3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanamide
CID 64851177
2,2-dimethyl-3-(2-methylpropoxy)-N-(3-pyrazol-1-ylpropyl)cyclobutan-1-amine
CID 115905408
1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-4-methylpentan-2-ol
CID 103921147
N'-(3-methoxy-2,2-dimethylcyclobutyl)heptane-1,7-diamine
CID 114119731
N-[(4-ethylcyclohexyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64852747
3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 103408104
3-(3-methoxypropoxy)-N,2,2-trimethylcyclobutan-1-amine
CID 66352640
3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine
CID 104584738

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypentyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The IUPAC name of N-(5-methoxypentyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (CID 103921156) is N-(5-methoxypentyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.
What is the SMILES notation for N-(5-methoxypentyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The canonical SMILES for N-(5-methoxypentyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is COCCCCCNC1CC(OCC(C)C)C1(C)C.
What is the InChIKey of N-(5-methoxypentyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The InChIKey is NRGHTIIQYJLLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-13(2)12-19-15-11-14(16(15,3)4)17-9-7-6-8-10-18-5/h13-15,17H,6-12H2,1-5H3.
What are the key properties of N-(5-methoxypentyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
N-(5-methoxypentyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine has a molecular weight of 271.44 g/mol, XLogP of 3.23, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypentyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is sourced from PubChem (CID 103921156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).