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

C13H26N2O — CID 105416779

IUPACN,N-dimethyl-1-[[2-(oxolan-2-yl)ethylamino]methyl]cyclobutan-1-amine
SMILESCN(C)C1(CNCCC2CCCO2)CCC1
InChIInChI=1S/C13H26N2O/c1-15(2)13(7-4-8-13)11-14-9-6-12-5-3-10-16-12/h12,14H,3-11H2,1-2H3
InChIKeyBZTTXQPHTQIJAH-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds6

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

N,N-dimethyl-1-[[2-(oxolan-2-yl)ethylamino]methyl]cyclobutan-1-amine (PubChem CID 105416779) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N,N-dimethyl-1-[[2-(oxolan-2-yl)ethylamino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[2-(oxolan-2-yl)ethylamino]methyl]cyclobutan-1-amine
PubChem CID105416779
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN,N-dimethyl-1-[[2-(oxolan-2-yl)ethylamino]methyl]cyclobutan-1-amine
SMILESCN(C)C1(CNCCC2CCCO2)CCC1
InChIInChI=1S/C13H26N2O/c1-15(2)13(7-4-8-13)11-14-9-6-12-5-3-10-16-12/h12,14H,3-11H2,1-2H3
InChIKeyBZTTXQPHTQIJAH-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
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-[(1-methylcyclopentyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 65163534
N,N,3-trimethyl-1-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine
CID 61212304
N-[2-(oxolan-2-yl)ethyl]prop-2-yn-1-amine
CID 62141075
N',N'-dimethyl-N-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine
CID 65164090
N-ethyl-2-(oxan-2-yl)ethanamine
CID 62549165
3-[[2-(oxolan-2-yl)ethylamino]methyl]oxolan-3-ol
CID 106100567
2-(oxolan-2-yl)-N-[(4-propylpiperidin-4-yl)methyl]ethanamine
CID 63129724
2-(oxolan-2-yl)-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 106981820
2-(oxolan-2-yl)-N-(2-propoxyethyl)ethanamine
CID 106451738
1-[[1-(dimethylamino)cyclohexyl]methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 119130023
N-[2-(oxolan-2-yl)ethyl]but-2-yn-1-amine
CID 62311153
N-[2-(2-methylphenyl)ethyl]-2-(oxolan-2-yl)ethanamine
CID 79763588

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[2-(oxolan-2-yl)ethylamino]methyl]cyclobutan-1-amine?
The IUPAC name of N,N-dimethyl-1-[[2-(oxolan-2-yl)ethylamino]methyl]cyclobutan-1-amine (CID 105416779) is N,N-dimethyl-1-[[2-(oxolan-2-yl)ethylamino]methyl]cyclobutan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[[2-(oxolan-2-yl)ethylamino]methyl]cyclobutan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[[2-(oxolan-2-yl)ethylamino]methyl]cyclobutan-1-amine is CN(C)C1(CNCCC2CCCO2)CCC1.
What is the InChIKey of N,N-dimethyl-1-[[2-(oxolan-2-yl)ethylamino]methyl]cyclobutan-1-amine?
The InChIKey is BZTTXQPHTQIJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-15(2)13(7-4-8-13)11-14-9-6-12-5-3-10-16-12/h12,14H,3-11H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[[2-(oxolan-2-yl)ethylamino]methyl]cyclobutan-1-amine?
N,N-dimethyl-1-[[2-(oxolan-2-yl)ethylamino]methyl]cyclobutan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 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-(oxolan-2-yl)ethylamino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 105416779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).