N-methyl-1-[4-(2-morpholin-4-ylethyl)morpholin-3-yl]methanamine

C12H25N3O2 — CID 83099643

IUPACN-methyl-1-[4-(2-morpholin-4-ylethyl)morpholin-3-yl]methanamine
SMILESCNCC1COCCN1CCN1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-13-10-12-11-17-9-6-15(12)3-2-14-4-7-16-8-5-14/h12-13H,2-11H2,1H3
InChIKeyZNLRTMSUHOXCGR-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.76
Rot. Bonds5

About N-methyl-1-[4-(2-morpholin-4-ylethyl)morpholin-3-yl]methanamine

N-methyl-1-[4-(2-morpholin-4-ylethyl)morpholin-3-yl]methanamine (PubChem CID 83099643) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-methyl-1-[4-(2-morpholin-4-ylethyl)morpholin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-morpholin-4-ylethyl)morpholin-3-yl]methanamine
PubChem CID83099643
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-methyl-1-[4-(2-morpholin-4-ylethyl)morpholin-3-yl]methanamine
SMILESCNCC1COCCN1CCN1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-13-10-12-11-17-9-6-15(12)3-2-14-4-7-16-8-5-14/h12-13H,2-11H2,1H3
InChIKeyZNLRTMSUHOXCGR-UHFFFAOYSA-N
XLogP-0.76
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-morpholin-4-ylethyl)morpholin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(2-morpholin-4-ylethyl)morpholin-3-yl]methanamine (CID 83099643) is N-methyl-1-[4-(2-morpholin-4-ylethyl)morpholin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(2-morpholin-4-ylethyl)morpholin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(2-morpholin-4-ylethyl)morpholin-3-yl]methanamine is CNCC1COCCN1CCN1CCOCC1.
What is the InChIKey of N-methyl-1-[4-(2-morpholin-4-ylethyl)morpholin-3-yl]methanamine?
The InChIKey is ZNLRTMSUHOXCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-13-10-12-11-17-9-6-15(12)3-2-14-4-7-16-8-5-14/h12-13H,2-11H2,1H3.
What are the key properties of N-methyl-1-[4-(2-morpholin-4-ylethyl)morpholin-3-yl]methanamine?
N-methyl-1-[4-(2-morpholin-4-ylethyl)morpholin-3-yl]methanamine has a molecular weight of 243.35 g/mol, XLogP of -0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-morpholin-4-ylethyl)morpholin-3-yl]methanamine is sourced from PubChem (CID 83099643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).