2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine

C19H35N3O — CID 4681297

IUPAC2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine
SMILESCCCCC(CC)CNCc1cccn1CCN1CCOCC1
InChIInChI=1S/C19H35N3O/c1-3-5-7-18(4-2)16-20-17-19-8-6-9-22(19)11-10-21-12-14-23-15-13-21/h6,8-9,18,20H,3-5,7,10-17H2,1-2H3
InChIKeyCHQDZNDCTFEWOO-UHFFFAOYSA-N
MW321.51 g/mol
LogP3.13
Rot. Bonds11

About 2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine

2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine (PubChem CID 4681297) has the molecular formula C19H35N3O and a molecular weight of 321.51 g/mol. Its IUPAC name is 2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine
PubChem CID4681297
Molecular FormulaC19H35N3O
Molecular Weight321.51 g/mol
Exact Mass321.28
IUPAC Name2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine
SMILESCCCCC(CC)CNCc1cccn1CCN1CCOCC1
InChIInChI=1S/C19H35N3O/c1-3-5-7-18(4-2)16-20-17-19-8-6-9-22(19)11-10-21-12-14-23-15-13-21/h6,8-9,18,20H,3-5,7,10-17H2,1-2H3
InChIKeyCHQDZNDCTFEWOO-UHFFFAOYSA-N
XLogP3.13
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine?
The IUPAC name of 2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine (CID 4681297) is 2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine is CCCCC(CC)CNCc1cccn1CCN1CCOCC1.
What is the InChIKey of 2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine?
The InChIKey is CHQDZNDCTFEWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O/c1-3-5-7-18(4-2)16-20-17-19-8-6-9-22(19)11-10-21-12-14-23-15-13-21/h6,8-9,18,20H,3-5,7,10-17H2,1-2H3.
What are the key properties of 2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine?
2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine has a molecular weight of 321.51 g/mol, XLogP of 3.13, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine is sourced from PubChem (CID 4681297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).