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

C13H27N3O — CID 117022653

IUPACN-methyl-1-[2-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(CCN2CCOCC2)C1C
InChIInChI=1S/C13H27N3O/c1-12-13(11-14-2)3-4-16(12)6-5-15-7-9-17-10-8-15/h12-14H,3-11H2,1-2H3
InChIKeyPAXVMUPNALPQDO-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.25
Rot. Bonds5

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

N-methyl-1-[2-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine (PubChem CID 117022653) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine
PubChem CID117022653
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-methyl-1-[2-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(CCN2CCOCC2)C1C
InChIInChI=1S/C13H27N3O/c1-12-13(11-14-2)3-4-16(12)6-5-15-7-9-17-10-8-15/h12-14H,3-11H2,1-2H3
InChIKeyPAXVMUPNALPQDO-UHFFFAOYSA-N
XLogP0.25
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine (CID 117022653) is N-methyl-1-[2-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine is CNCC1CCN(CCN2CCOCC2)C1C.
What is the InChIKey of N-methyl-1-[2-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is PAXVMUPNALPQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-12-13(11-14-2)3-4-16(12)6-5-15-7-9-17-10-8-15/h12-14H,3-11H2,1-2H3.
What are the key properties of N-methyl-1-[2-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine?
N-methyl-1-[2-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 241.38 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117022653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).