N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine

C15H30N2O — CID 62862435

IUPACN-[[4-[[cyclobutylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CN(C)CC2CCC2)CCOCC1
InChIInChI=1S/C15H30N2O/c1-3-16-12-15(7-9-18-10-8-15)13-17(2)11-14-5-4-6-14/h14,16H,3-13H2,1-2H3
InChIKeyBQFSNHTYANOCLM-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds7

About N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine

N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine (PubChem CID 62862435) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[[cyclobutylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine
PubChem CID62862435
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[[4-[[cyclobutylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CN(C)CC2CCC2)CCOCC1
InChIInChI=1S/C15H30N2O/c1-3-16-12-15(7-9-18-10-8-15)13-17(2)11-14-5-4-6-14/h14,16H,3-13H2,1-2H3
InChIKeyBQFSNHTYANOCLM-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 55066332
1-{4-[(Dimethylamino)methyl]oxan-4-yl}methanamine
CID 62390590
N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
CID 62390964
N-ethyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoroethanamine
CID 62390969
N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 62390970
N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 62391149
2-methyl-N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391312
N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62392200
N-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 62392201
2-methyl-N-[[4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 65531057
N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 65532415
3,3,3-trifluoro-N-methyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]propan-1-amine
CID 65532604

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine (CID 62862435) is N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine is CCNCC1(CN(C)CC2CCC2)CCOCC1.
What is the InChIKey of N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine?
The InChIKey is BQFSNHTYANOCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-16-12-15(7-9-18-10-8-15)13-17(2)11-14-5-4-6-14/h14,16H,3-13H2,1-2H3.
What are the key properties of N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine?
N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine is sourced from PubChem (CID 62862435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).