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

C13H24N4O — CID 50971906

IUPACN-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine
SMILESCc1[nH]cnc1CN(C)CC(C)N1CCOCC1
InChIInChI=1S/C13H24N4O/c1-11(17-4-6-18-7-5-17)8-16(3)9-13-12(2)14-10-15-13/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyWQHMIBROFLWQQH-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.87
Rot. Bonds5

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

N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine (PubChem CID 50971906) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine
PubChem CID50971906
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine
SMILESCc1[nH]cnc1CN(C)CC(C)N1CCOCC1
InChIInChI=1S/C13H24N4O/c1-11(17-4-6-18-7-5-17)8-16(3)9-13-12(2)14-10-15-13/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyWQHMIBROFLWQQH-UHFFFAOYSA-N
XLogP0.87
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine (CID 50971906) is N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine is Cc1[nH]cnc1CN(C)CC(C)N1CCOCC1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine?
The InChIKey is WQHMIBROFLWQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-11(17-4-6-18-7-5-17)8-16(3)9-13-12(2)14-10-15-13/h10-11H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine?
N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine has a molecular weight of 252.36 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 50971906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).