N,N-dimethyl-1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclobutan-1-amine

C13H28N2O — CID 105416787

IUPACN,N-dimethyl-1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclobutan-1-amine
SMILESCN(C)C1(CNCCOC(C)(C)C)CCC1
InChIInChI=1S/C13H28N2O/c1-12(2,3)16-10-9-14-11-13(15(4)5)7-6-8-13/h14H,6-11H2,1-5H3
InChIKeyYSPGVFXBPYLPDO-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds6

About N,N-dimethyl-1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclobutan-1-amine

N,N-dimethyl-1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclobutan-1-amine (PubChem CID 105416787) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N,N-dimethyl-1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclobutan-1-amine
PubChem CID105416787
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN,N-dimethyl-1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclobutan-1-amine
SMILESCN(C)C1(CNCCOC(C)(C)C)CCC1
InChIInChI=1S/C13H28N2O/c1-12(2,3)16-10-9-14-11-13(15(4)5)7-6-8-13/h14H,6-11H2,1-5H3
InChIKeyYSPGVFXBPYLPDO-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
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

1-[[2-(2-methoxyethoxy)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 112752546
[1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclohexyl]methanol
CID 113359626
N-[[1-(dimethylamino)cyclobutyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 105416972
N,N-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine
CID 155794114
5-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-dimethylpentanenitrile
CID 83121516
tert-butyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate
CID 105416864
3-[[1-(dimethylamino)cyclobutyl]methylamino]propanoic acid
CID 105416372
N,N-dimethyl-1-[(3-methylsulfanylpropylamino)methyl]cyclohexan-1-amine
CID 28622139
3-[[1-(dimethylamino)cyclobutyl]methylamino]-N'-hydroxypropanimidamide
CID 105418384
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 78914071
N,N-dimethyl-1-[(3-phenoxypropylamino)methyl]cyclopentan-1-amine
CID 78915355
methyl 4-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate
CID 105416398

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclobutan-1-amine?
The IUPAC name of N,N-dimethyl-1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclobutan-1-amine (CID 105416787) is N,N-dimethyl-1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclobutan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclobutan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclobutan-1-amine is CN(C)C1(CNCCOC(C)(C)C)CCC1.
What is the InChIKey of N,N-dimethyl-1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclobutan-1-amine?
The InChIKey is YSPGVFXBPYLPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-12(2,3)16-10-9-14-11-13(15(4)5)7-6-8-13/h14H,6-11H2,1-5H3.
What are the key properties of N,N-dimethyl-1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclobutan-1-amine?
N,N-dimethyl-1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclobutan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 105416787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).