N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine

C12H22N4O — CID 62742878

IUPACN-[(2-methyl-1H-imidazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCc1ncc(CNCCCN2CCOCC2)[nH]1
InChIInChI=1S/C12H22N4O/c1-11-14-10-12(15-11)9-13-3-2-4-16-5-7-17-8-6-16/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyOSGXWYJYMRYIIY-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.53
Rot. Bonds6

About N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine

N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 62742878) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-methyl-1H-imidazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID62742878
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[(2-methyl-1H-imidazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCc1ncc(CNCCCN2CCOCC2)[nH]1
InChIInChI=1S/C12H22N4O/c1-11-14-10-12(15-11)9-13-3-2-4-16-5-7-17-8-6-16/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyOSGXWYJYMRYIIY-UHFFFAOYSA-N
XLogP0.53
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylethanamine
CID 62742690
N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 62743808
N-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2224555
N-[(5-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 80707733
2-methyl-N-(3-morpholin-4-ylpropyl)-1H-imidazole-5-carboxamide
CID 110467560
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62997683
N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6456981
5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol
CID 107302918
N-[(5-iodo-1,3-thiazol-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 112755271
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 5167963
4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]oxan-4-ol
CID 78929055

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 62742878) is N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine is Cc1ncc(CNCCCN2CCOCC2)[nH]1.
What is the InChIKey of N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is OSGXWYJYMRYIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-11-14-10-12(15-11)9-13-3-2-4-16-5-7-17-8-6-16/h10,13H,2-9H2,1H3,(H,14,15).
What are the key properties of N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 62742878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).