4-[(dibutylamino)methyl]-2,2,5,5-tetramethyloxolan-3-amine

C17H36N2O — CID 79933747

IUPAC4-[(dibutylamino)methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCCCCN(CCCC)CC1C(N)C(C)(C)OC1(C)C
InChIInChI=1S/C17H36N2O/c1-7-9-11-19(12-10-8-2)13-14-15(18)17(5,6)20-16(14,3)4/h14-15H,7-13,18H2,1-6H3
InChIKeyNHTNDCUKVGDOHY-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.42
Rot. Bonds8

About 4-[(dibutylamino)methyl]-2,2,5,5-tetramethyloxolan-3-amine

4-[(dibutylamino)methyl]-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 79933747) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 4-[(dibutylamino)methyl]-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound Name4-[(dibutylamino)methyl]-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID79933747
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name4-[(dibutylamino)methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCCCCN(CCCC)CC1C(N)C(C)(C)OC1(C)C
InChIInChI=1S/C17H36N2O/c1-7-9-11-19(12-10-8-2)13-14-15(18)17(5,6)20-16(14,3)4/h14-15H,7-13,18H2,1-6H3
InChIKeyNHTNDCUKVGDOHY-UHFFFAOYSA-N
XLogP3.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[ethyl(2-ethylbutyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 79934180
N,N-dibutylbutan-1-amine;molecular hydrogen
CID 174513596
3-[(dibutylamino)methyl]cyclopentan-1-amine
CID 66008000
N-butyl-N-(oxiran-2-ylmethyl)butan-1-amine;hydrochloride
CID 159534720
2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64735424
4-[[bis(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol
CID 79929556
tetrakis(N,N-diethylbutan-1-amine);ethane;methane
CID 157434901
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
4-[[cyclopropylmethyl(propyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine
CID 79934179
2,2,5,5-tetramethyl-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]oxolan-3-amine
CID 102745744

Frequently Asked Questions

What is the IUPAC name of 4-[(dibutylamino)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of 4-[(dibutylamino)methyl]-2,2,5,5-tetramethyloxolan-3-amine (CID 79933747) is 4-[(dibutylamino)methyl]-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for 4-[(dibutylamino)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for 4-[(dibutylamino)methyl]-2,2,5,5-tetramethyloxolan-3-amine is CCCCN(CCCC)CC1C(N)C(C)(C)OC1(C)C.
What is the InChIKey of 4-[(dibutylamino)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is NHTNDCUKVGDOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-7-9-11-19(12-10-8-2)13-14-15(18)17(5,6)20-16(14,3)4/h14-15H,7-13,18H2,1-6H3.
What are the key properties of 4-[(dibutylamino)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
4-[(dibutylamino)methyl]-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 284.49 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dibutylamino)methyl]-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 79933747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).