3-(aminomethyl)-N,N-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-amine

C13H28N4O — CID 117012445

IUPAC3-(aminomethyl)-N,N-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-amine
SMILESCN(C)C1(CN)CCN(CCN2CCOCC2)C1
InChIInChI=1S/C13H28N4O/c1-15(2)13(11-14)3-4-17(12-13)6-5-16-7-9-18-10-8-16/h3-12,14H2,1-2H3
InChIKeyWGBYNGPWKSSBQJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP-0.72
Rot. Bonds5

About 3-(aminomethyl)-N,N-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-amine

3-(aminomethyl)-N,N-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-amine (PubChem CID 117012445) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-(aminomethyl)-N,N-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,N-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-amine
PubChem CID117012445
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name3-(aminomethyl)-N,N-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-amine
SMILESCN(C)C1(CN)CCN(CCN2CCOCC2)C1
InChIInChI=1S/C13H28N4O/c1-15(2)13(11-14)3-4-17(12-13)6-5-16-7-9-18-10-8-16/h3-12,14H2,1-2H3
InChIKeyWGBYNGPWKSSBQJ-UHFFFAOYSA-N
XLogP-0.72
TPSA44.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,N-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-N,N-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-amine (CID 117012445) is 3-(aminomethyl)-N,N-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N,N-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-N,N-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-amine is CN(C)C1(CN)CCN(CCN2CCOCC2)C1.
What is the InChIKey of 3-(aminomethyl)-N,N-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-amine?
The InChIKey is WGBYNGPWKSSBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-15(2)13(11-14)3-4-17(12-13)6-5-16-7-9-18-10-8-16/h3-12,14H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N,N-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-amine?
3-(aminomethyl)-N,N-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-amine has a molecular weight of 256.39 g/mol, XLogP of -0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,N-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 117012445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).