1-(4-methylmorpholin-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine

C13H24N4O — CID 79082730

IUPAC1-(4-methylmorpholin-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
SMILESCC(C)n1cncc1CNCC1CN(C)CCO1
InChIInChI=1S/C13H24N4O/c1-11(2)17-10-15-7-12(17)6-14-8-13-9-16(3)4-5-18-13/h7,10-11,13-14H,4-6,8-9H2,1-3H3
InChIKeyLHYQTIQUVIWONX-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.88
Rot. Bonds5

About 1-(4-methylmorpholin-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine

1-(4-methylmorpholin-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine (PubChem CID 79082730) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(4-methylmorpholin-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methylmorpholin-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
PubChem CID79082730
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-(4-methylmorpholin-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
SMILESCC(C)n1cncc1CNCC1CN(C)CCO1
InChIInChI=1S/C13H24N4O/c1-11(2)17-10-15-7-12(17)6-14-8-13-9-16(3)4-5-18-13/h7,10-11,13-14H,4-6,8-9H2,1-3H3
InChIKeyLHYQTIQUVIWONX-UHFFFAOYSA-N
XLogP0.88
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylmorpholin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
CID 78967537
2-methyl-N-[[3-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 79077837
1-(4-methylmorpholin-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 78945276
[3-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]methanamine
CID 79078229
N-[(5-iodo-1,3-thiazol-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 124873009
1-(1,1-dioxothiolan-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 81039457
N-[(5-chlorofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943077
N-[(3-methylfuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 115653459
N-[(5-chlorothiophen-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
CID 95598780
[5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-yl]methanol
CID 79032869
N-[(5-bromothiophen-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95159793
4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,3-diol
CID 78943189

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylmorpholin-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-methylmorpholin-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine (CID 79082730) is 1-(4-methylmorpholin-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-methylmorpholin-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-methylmorpholin-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine is CC(C)n1cncc1CNCC1CN(C)CCO1.
What is the InChIKey of 1-(4-methylmorpholin-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine?
The InChIKey is LHYQTIQUVIWONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-11(2)17-10-15-7-12(17)6-14-8-13-9-16(3)4-5-18-13/h7,10-11,13-14H,4-6,8-9H2,1-3H3.
What are the key properties of 1-(4-methylmorpholin-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine?
1-(4-methylmorpholin-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine has a molecular weight of 252.36 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylmorpholin-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine is sourced from PubChem (CID 79082730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).