N-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine

C13H29N3O — CID 79164867

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

About N-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine

N-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 79164867) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID79164867
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCCN1CCOC(CNCCN(C)C(C)C)C1
InChIInChI=1S/C13H29N3O/c1-5-16-8-9-17-13(11-16)10-14-6-7-15(4)12(2)3/h12-14H,5-11H2,1-4H3
InChIKeyFXOZPDWOALGINP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 115626301
2-[2-(dimethylamino)ethoxy]-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 114127523
N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 79165763
3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine
CID 114293488
N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 103033653
3-N-[(4-ethylmorpholin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 79164421
2-[(4-ethylmorpholin-2-yl)methyl]-1,1-dimethylhydrazine
CID 83013622
N-[(4-ethylmorpholin-2-yl)methyl]-2-ethylsulfanylethanamine
CID 114399810
N-[(4-ethylmorpholin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 79165338
N-[(4-ethylmorpholin-2-yl)methyl]-6-iodohexan-1-amine
CID 107845055
N-methyl-N-propan-2-yl-3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propan-1-amine
CID 168856384
2-cyclopentyloxy-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 79164427

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine (CID 79164867) is N-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine is CCN1CCOC(CNCCN(C)C(C)C)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is FXOZPDWOALGINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-5-16-8-9-17-13(11-16)10-14-6-7-15(4)12(2)3/h12-14H,5-11H2,1-4H3.
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
N-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-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 N-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 79164867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).