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

C14H29N3O — CID 62511905

IUPACN-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(CCN2CCOCC2)C1
InChIInChI=1S/C14H29N3O/c1-13(2)15-11-14-3-4-17(12-14)6-5-16-7-9-18-10-8-16/h13-15H,3-12H2,1-2H3
InChIKeyXDMSPTTUIFGEMR-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.64
Rot. Bonds6

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

N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 62511905) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID62511905
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(CCN2CCOCC2)C1
InChIInChI=1S/C14H29N3O/c1-13(2)15-11-14-3-4-17(12-14)6-5-16-7-9-18-10-8-16/h13-15H,3-12H2,1-2H3
InChIKeyXDMSPTTUIFGEMR-UHFFFAOYSA-N
XLogP0.64
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]propan-2-amine (CID 62511905) is N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCN(CCN2CCOCC2)C1.
What is the InChIKey of N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is XDMSPTTUIFGEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-13(2)15-11-14-3-4-17(12-14)6-5-16-7-9-18-10-8-16/h13-15H,3-12H2,1-2H3.
What are the key properties of N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 255.41 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62511905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).