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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Related Compounds

N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62997683
1-[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 124689981
N'-[(3-methylimidazol-4-yl)methyl]-N-propylpropane-1,3-diamine
CID 103510884
2-cyclopropyl-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 66118770
N-[(3-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 63031421
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 95579532
N'-methyl-N-[(3-methylimidazol-4-yl)methyl]-N'-propan-2-ylbutane-1,4-diamine
CID 63001825
3-(2,6-dimethylmorpholin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 56807387
N-[(3-methylimidazol-4-yl)methyl]-3-phenylpropan-1-amine
CID 63000421
3-butoxy-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 115606778
N-[(4-bromophenyl)methyl]-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butan-1-amine
CID 94939280
4-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazol-5-ylmethyl)butan-1-amine
CID 119110486

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).