N-[[4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]propan-2-amine

C13H24N4O — CID 66118550

IUPACN-[[4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1OCCN(C)C1c1cncn1C
InChIInChI=1S/C13H24N4O/c1-10(2)15-8-12-13(16(3)5-6-18-12)11-7-14-9-17(11)4/h7,9-10,12-13,15H,5-6,8H2,1-4H3
InChIKeyANJACHZODWRUOR-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.79
Rot. Bonds4

About N-[[4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]propan-2-amine

N-[[4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]propan-2-amine (PubChem CID 66118550) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[[4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]propan-2-amine
PubChem CID66118550
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[[4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1OCCN(C)C1c1cncn1C
InChIInChI=1S/C13H24N4O/c1-10(2)15-8-12-13(16(3)5-6-18-12)11-7-14-9-17(11)4/h7,9-10,12-13,15H,5-6,8H2,1-4H3
InChIKeyANJACHZODWRUOR-UHFFFAOYSA-N
XLogP0.79
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]propan-2-amine (CID 66118550) is N-[[4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]propan-2-amine is CC(C)NCC1OCCN(C)C1c1cncn1C.
What is the InChIKey of N-[[4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]propan-2-amine?
The InChIKey is ANJACHZODWRUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)15-8-12-13(16(3)5-6-18-12)11-7-14-9-17(11)4/h7,9-10,12-13,15H,5-6,8H2,1-4H3.
What are the key properties of N-[[4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]propan-2-amine?
N-[[4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]propan-2-amine has a molecular weight of 252.36 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 66118550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).