N-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]ethenamine

C9H18N2O — CID 137451643

IUPACN-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]ethenamine
SMILESC=CNCN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C9H18N2O/c1-4-10-7-11-5-8(2)12-9(3)6-11/h4,8-10H,1,5-7H2,2-3H3/t8-,9+
InChIKeySWZKFQZAODRVFM-DTORHVGOSA-N
MW170.26 g/mol
LogP0.79
Rot. Bonds3

About N-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]ethenamine

N-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]ethenamine (PubChem CID 137451643) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]ethenamine.

Molecular Properties

Compound NameN-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]ethenamine
PubChem CID137451643
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]ethenamine
SMILESC=CNCN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C9H18N2O/c1-4-10-7-11-5-8(2)12-9(3)6-11/h4,8-10H,1,5-7H2,2-3H3/t8-,9+
InChIKeySWZKFQZAODRVFM-DTORHVGOSA-N
XLogP0.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]ethenamine?
The IUPAC name of N-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]ethenamine (CID 137451643) is N-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]ethenamine.
What is the SMILES notation for N-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]ethenamine?
The canonical SMILES for N-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]ethenamine is C=CNCN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of N-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]ethenamine?
The InChIKey is SWZKFQZAODRVFM-DTORHVGOSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-10-7-11-5-8(2)12-9(3)6-11/h4,8-10H,1,5-7H2,2-3H3/t8-,9+.
What are the key properties of N-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]ethenamine?
N-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]ethenamine has a molecular weight of 170.26 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]ethenamine is sourced from PubChem (CID 137451643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).