[4-(3-imidazol-1-ylpropyl)-5-methylmorpholin-2-yl]methanamine

C12H22N4O — CID 81216998

IUPAC[4-(3-imidazol-1-ylpropyl)-5-methylmorpholin-2-yl]methanamine
SMILESCC1COC(CN)CN1CCCn1ccnc1
InChIInChI=1S/C12H22N4O/c1-11-9-17-12(7-13)8-16(11)5-2-4-15-6-3-14-10-15/h3,6,10-12H,2,4-5,7-9,13H2,1H3
InChIKeyBEJATJXXRUGLRH-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.32
Rot. Bonds5

About [4-(3-imidazol-1-ylpropyl)-5-methylmorpholin-2-yl]methanamine

[4-(3-imidazol-1-ylpropyl)-5-methylmorpholin-2-yl]methanamine (PubChem CID 81216998) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is [4-(3-imidazol-1-ylpropyl)-5-methylmorpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(3-imidazol-1-ylpropyl)-5-methylmorpholin-2-yl]methanamine
PubChem CID81216998
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name[4-(3-imidazol-1-ylpropyl)-5-methylmorpholin-2-yl]methanamine
SMILESCC1COC(CN)CN1CCCn1ccnc1
InChIInChI=1S/C12H22N4O/c1-11-9-17-12(7-13)8-16(11)5-2-4-15-6-3-14-10-15/h3,6,10-12H,2,4-5,7-9,13H2,1H3
InChIKeyBEJATJXXRUGLRH-UHFFFAOYSA-N
XLogP0.32
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methyl-4-octylmorpholin-2-yl)methanamine
CID 81217426
[4-(4-methoxybutyl)-5-methylmorpholin-2-yl]methanamine
CID 104649820
[4-(2-imidazol-1-ylethyl)morpholin-2-yl]methanamine
CID 112703863
[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]methanamine
CID 61493086
[5-methyl-4-(2-propoxyethyl)morpholin-2-yl]methanamine
CID 106457949
[5-methyl-4-(2-propan-2-yloxyethyl)morpholin-2-yl]methanamine
CID 81217007
[5-methyl-4-(pyridin-3-ylmethyl)morpholin-2-yl]methanamine
CID 81217823
3-chloro-1-(3-imidazol-1-ylpropyl)-4-methylpiperidine
CID 102960102
4-(3-imidazol-1-ylpropyl)morpholine-3-thiol
CID 173328145
3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 19864194
[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine
CID 61493085
2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N,N-dimethylacetamide
CID 81217721

Frequently Asked Questions

What is the IUPAC name of [4-(3-imidazol-1-ylpropyl)-5-methylmorpholin-2-yl]methanamine?
The IUPAC name of [4-(3-imidazol-1-ylpropyl)-5-methylmorpholin-2-yl]methanamine (CID 81216998) is [4-(3-imidazol-1-ylpropyl)-5-methylmorpholin-2-yl]methanamine.
What is the SMILES notation for [4-(3-imidazol-1-ylpropyl)-5-methylmorpholin-2-yl]methanamine?
The canonical SMILES for [4-(3-imidazol-1-ylpropyl)-5-methylmorpholin-2-yl]methanamine is CC1COC(CN)CN1CCCn1ccnc1.
What is the InChIKey of [4-(3-imidazol-1-ylpropyl)-5-methylmorpholin-2-yl]methanamine?
The InChIKey is BEJATJXXRUGLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-11-9-17-12(7-13)8-16(11)5-2-4-15-6-3-14-10-15/h3,6,10-12H,2,4-5,7-9,13H2,1H3.
What are the key properties of [4-(3-imidazol-1-ylpropyl)-5-methylmorpholin-2-yl]methanamine?
[4-(3-imidazol-1-ylpropyl)-5-methylmorpholin-2-yl]methanamine has a molecular weight of 238.33 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-imidazol-1-ylpropyl)-5-methylmorpholin-2-yl]methanamine is sourced from PubChem (CID 81216998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).