3-N-[(4-ethylmorpholin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine

C13H29N3O — CID 79164421

IUPAC3-N-[(4-ethylmorpholin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCCN1CCOC(CNC(C)CCN(C)C)C1
InChIInChI=1S/C13H29N3O/c1-5-16-8-9-17-13(11-16)10-14-12(2)6-7-15(3)4/h12-14H,5-11H2,1-4H3
InChIKeyWAGYOEOISVTCCE-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.64
Rot. Bonds7

About 3-N-[(4-ethylmorpholin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine

3-N-[(4-ethylmorpholin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 79164421) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-N-[(4-ethylmorpholin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-[(4-ethylmorpholin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID79164421
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name3-N-[(4-ethylmorpholin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCCN1CCOC(CNC(C)CCN(C)C)C1
InChIInChI=1S/C13H29N3O/c1-5-16-8-9-17-13(11-16)10-14-12(2)6-7-15(3)4/h12-14H,5-11H2,1-4H3
InChIKeyWAGYOEOISVTCCE-UHFFFAOYSA-N
XLogP0.64
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-6-methylheptan-2-amine
CID 79166729
N-[(4-ethylmorpholin-2-yl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115919948
N-[(4-ethylmorpholin-2-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 103931823
1-cyclopropyl-N-[(4-ethylmorpholin-2-yl)methyl]propan-2-amine
CID 79166353
3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid
CID 114399804
2-[(4-ethylmorpholin-2-yl)methyl]-1,1-dimethylhydrazine
CID 83013622
N-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 79164867
N-[(4-ethylmorpholin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 115919969
2-[2-(dimethylamino)ethoxy]-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 114127523
N'-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 79171078
N-ethyl-2-[(4-ethylmorpholin-2-yl)methylamino]propanamide
CID 78960400
(1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-phenylethanamine
CID 79165339

Frequently Asked Questions

What is the IUPAC name of 3-N-[(4-ethylmorpholin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-[(4-ethylmorpholin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine (CID 79164421) is 3-N-[(4-ethylmorpholin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-[(4-ethylmorpholin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-[(4-ethylmorpholin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine is CCN1CCOC(CNC(C)CCN(C)C)C1.
What is the InChIKey of 3-N-[(4-ethylmorpholin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is WAGYOEOISVTCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-5-16-8-9-17-13(11-16)10-14-12(2)6-7-15(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of 3-N-[(4-ethylmorpholin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine?
3-N-[(4-ethylmorpholin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 243.39 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(4-ethylmorpholin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 79164421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).