N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]ethanamine

C11H24N2O — CID 62390241

IUPACN-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CN(C)C)CCOCC1
InChIInChI=1S/C11H24N2O/c1-4-12-9-11(10-13(2)3)5-7-14-8-6-11/h12H,4-10H2,1-3H3
InChIKeyOZYWHQXRLXOBMN-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.95
Rot. Bonds5

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

N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]ethanamine (PubChem CID 62390241) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]ethanamine
PubChem CID62390241
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CN(C)C)CCOCC1
InChIInChI=1S/C11H24N2O/c1-4-12-9-11(10-13(2)3)5-7-14-8-6-11/h12H,4-10H2,1-3H3
InChIKeyOZYWHQXRLXOBMN-UHFFFAOYSA-N
XLogP0.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]ethanamine (CID 62390241) is N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]ethanamine is CCNCC1(CN(C)C)CCOCC1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]ethanamine?
The InChIKey is OZYWHQXRLXOBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-12-9-11(10-13(2)3)5-7-14-8-6-11/h12H,4-10H2,1-3H3.
What are the key properties of N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]ethanamine?
N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]ethanamine has a molecular weight of 200.33 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]ethanamine is sourced from PubChem (CID 62390241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).