3-(2,6-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine

C14H26N4O — CID 119109875

IUPAC3-(2,6-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
SMILESCC1CN(CCCNCc2cncn2C)CC(C)O1
InChIInChI=1S/C14H26N4O/c1-12-9-18(10-13(2)19-12)6-4-5-15-7-14-8-16-11-17(14)3/h8,11-13,15H,4-7,9-10H2,1-3H3
InChIKeyMVXXACROOIRUFX-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.01
Rot. Bonds6

About 3-(2,6-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine

3-(2,6-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine (PubChem CID 119109875) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
PubChem CID119109875
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
SMILESCC1CN(CCCNCc2cncn2C)CC(C)O1
InChIInChI=1S/C14H26N4O/c1-12-9-18(10-13(2)19-12)6-4-5-15-7-14-8-16-11-17(14)3/h8,11-13,15H,4-7,9-10H2,1-3H3
InChIKeyMVXXACROOIRUFX-UHFFFAOYSA-N
XLogP1.01
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine (CID 119109875) is 3-(2,6-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine is CC1CN(CCCNCc2cncn2C)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine?
The InChIKey is MVXXACROOIRUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-12-9-18(10-13(2)19-12)6-4-5-15-7-14-8-16-11-17(14)3/h8,11-13,15H,4-7,9-10H2,1-3H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine?
3-(2,6-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine has a molecular weight of 266.39 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 119109875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).