N-[[1-(3-morpholin-4-ylpropyl)imidazol-4-yl]methyl]ethanamine

C13H24N4O — CID 114203930

IUPACN-[[1-(3-morpholin-4-ylpropyl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCCN2CCOCC2)cn1
InChIInChI=1S/C13H24N4O/c1-2-14-10-13-11-17(12-15-13)5-3-4-16-6-8-18-9-7-16/h11-12,14H,2-10H2,1H3
InChIKeyOVYWNNAPGLAJKA-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.71
Rot. Bonds7

About N-[[1-(3-morpholin-4-ylpropyl)imidazol-4-yl]methyl]ethanamine

N-[[1-(3-morpholin-4-ylpropyl)imidazol-4-yl]methyl]ethanamine (PubChem CID 114203930) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[[1-(3-morpholin-4-ylpropyl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3-morpholin-4-ylpropyl)imidazol-4-yl]methyl]ethanamine
PubChem CID114203930
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[[1-(3-morpholin-4-ylpropyl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCCN2CCOCC2)cn1
InChIInChI=1S/C13H24N4O/c1-2-14-10-13-11-17(12-15-13)5-3-4-16-6-8-18-9-7-16/h11-12,14H,2-10H2,1H3
InChIKeyOVYWNNAPGLAJKA-UHFFFAOYSA-N
XLogP0.71
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3-methoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 106718702
4-[(1-ethylimidazol-4-yl)methyl]morpholine
CID 117191798
N-[[1-(2-methylsulfonylethyl)imidazol-4-yl]methyl]ethanamine
CID 106718661
methyl 3-[4-(ethylaminomethyl)imidazol-1-yl]propanoate
CID 106718603
2-[4-(morpholin-4-ylmethyl)imidazol-1-yl]ethanamine
CID 107500617
ethane;N-ethyl-3-morpholin-4-ylpropan-1-amine
CID 170595450
N-[(1-methylimidazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 107972077
N-[[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66411997
N-[(5-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 80707733
N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718842
N-[(1-ethylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62126706
N-[[1-(2-ethylhexyl)imidazol-4-yl]methyl]ethanamine
CID 106718676

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-morpholin-4-ylpropyl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3-morpholin-4-ylpropyl)imidazol-4-yl]methyl]ethanamine (CID 114203930) is N-[[1-(3-morpholin-4-ylpropyl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3-morpholin-4-ylpropyl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3-morpholin-4-ylpropyl)imidazol-4-yl]methyl]ethanamine is CCNCc1cn(CCCN2CCOCC2)cn1.
What is the InChIKey of N-[[1-(3-morpholin-4-ylpropyl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is OVYWNNAPGLAJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-2-14-10-13-11-17(12-15-13)5-3-4-16-6-8-18-9-7-16/h11-12,14H,2-10H2,1H3.
What are the key properties of N-[[1-(3-morpholin-4-ylpropyl)imidazol-4-yl]methyl]ethanamine?
N-[[1-(3-morpholin-4-ylpropyl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 252.36 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-morpholin-4-ylpropyl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 114203930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).