N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine

C12H22N4O — CID 62997683

IUPACN-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCn1cncc1CNCCCN1CCOCC1
InChIInChI=1S/C12H22N4O/c1-15-11-14-10-12(15)9-13-3-2-4-16-5-7-17-8-6-16/h10-11,13H,2-9H2,1H3
InChIKeyBILVXKOKSLCPFL-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.23
Rot. Bonds6

About N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine

N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 62997683) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID62997683
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCn1cncc1CNCCCN1CCOCC1
InChIInChI=1S/C12H22N4O/c1-15-11-14-10-12(15)9-13-3-2-4-16-5-7-17-8-6-16/h10-11,13H,2-9H2,1H3
InChIKeyBILVXKOKSLCPFL-UHFFFAOYSA-N
XLogP0.23
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.23
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

3-(2,6-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 119109875
N-[(3-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 63031421
N-ethyl-N'-[(3-methylimidazol-4-yl)methyl]propane-1,3-diamine
CID 103510883
N'-[(3-methylimidazol-4-yl)methyl]-N-propylpropane-1,3-diamine
CID 103510884
N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 122166171
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
N-[(1-ethylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62126706
3-morpholin-4-yl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine
CID 122166014
3-morpholin-4-yl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine;dihydrochloride
CID 126967833
N-[(3-methylimidazol-4-yl)methyl]-4-(morpholin-4-ylmethyl)aniline
CID 66119111
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62742878
N-[(5-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 80707733

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 62997683) is N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine is Cn1cncc1CNCCCN1CCOCC1.
What is the InChIKey of N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is BILVXKOKSLCPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-15-11-14-10-12(15)9-13-3-2-4-16-5-7-17-8-6-16/h10-11,13H,2-9H2,1H3.
What are the key properties of N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 62997683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).