4-ethyl-4-[[(1-morpholin-4-ylcyclopentyl)methylamino]methyl]hexanenitrile

C19H35N3O — CID 39818626

IUPAC4-ethyl-4-[[(1-morpholin-4-ylcyclopentyl)methylamino]methyl]hexanenitrile
SMILESCCC(CC)(CCC#N)CNCC1(N2CCOCC2)CCCC1
InChIInChI=1S/C19H35N3O/c1-3-18(4-2,8-7-11-20)16-21-17-19(9-5-6-10-19)22-12-14-23-15-13-22/h21H,3-10,12-17H2,1-2H3
InChIKeyZVWBXBPVTOVBSY-UHFFFAOYSA-N
MW321.51 g/mol
LogP3.33
Rot. Bonds9

About 4-ethyl-4-[[(1-morpholin-4-ylcyclopentyl)methylamino]methyl]hexanenitrile

4-ethyl-4-[[(1-morpholin-4-ylcyclopentyl)methylamino]methyl]hexanenitrile (PubChem CID 39818626) has the molecular formula C19H35N3O and a molecular weight of 321.51 g/mol. Its IUPAC name is 4-ethyl-4-[[(1-morpholin-4-ylcyclopentyl)methylamino]methyl]hexanenitrile.

Molecular Properties

Compound Name4-ethyl-4-[[(1-morpholin-4-ylcyclopentyl)methylamino]methyl]hexanenitrile
PubChem CID39818626
Molecular FormulaC19H35N3O
Molecular Weight321.51 g/mol
Exact Mass321.28
IUPAC Name4-ethyl-4-[[(1-morpholin-4-ylcyclopentyl)methylamino]methyl]hexanenitrile
SMILESCCC(CC)(CCC#N)CNCC1(N2CCOCC2)CCCC1
InChIInChI=1S/C19H35N3O/c1-3-18(4-2,8-7-11-20)16-21-17-19(9-5-6-10-19)22-12-14-23-15-13-22/h21H,3-10,12-17H2,1-2H3
InChIKeyZVWBXBPVTOVBSY-UHFFFAOYSA-N
XLogP3.33
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-4-[[(1-morpholin-4-ylcyclopentyl)methylamino]methyl]hexanenitrile 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 4-ethyl-4-[[(1-morpholin-4-ylcyclopentyl)methylamino]methyl]hexanenitrile?
The IUPAC name of 4-ethyl-4-[[(1-morpholin-4-ylcyclopentyl)methylamino]methyl]hexanenitrile (CID 39818626) is 4-ethyl-4-[[(1-morpholin-4-ylcyclopentyl)methylamino]methyl]hexanenitrile.
What is the SMILES notation for 4-ethyl-4-[[(1-morpholin-4-ylcyclopentyl)methylamino]methyl]hexanenitrile?
The canonical SMILES for 4-ethyl-4-[[(1-morpholin-4-ylcyclopentyl)methylamino]methyl]hexanenitrile is CCC(CC)(CCC#N)CNCC1(N2CCOCC2)CCCC1.
What is the InChIKey of 4-ethyl-4-[[(1-morpholin-4-ylcyclopentyl)methylamino]methyl]hexanenitrile?
The InChIKey is ZVWBXBPVTOVBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O/c1-3-18(4-2,8-7-11-20)16-21-17-19(9-5-6-10-19)22-12-14-23-15-13-22/h21H,3-10,12-17H2,1-2H3.
What are the key properties of 4-ethyl-4-[[(1-morpholin-4-ylcyclopentyl)methylamino]methyl]hexanenitrile?
4-ethyl-4-[[(1-morpholin-4-ylcyclopentyl)methylamino]methyl]hexanenitrile has a molecular weight of 321.51 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-[[(1-morpholin-4-ylcyclopentyl)methylamino]methyl]hexanenitrile is sourced from PubChem (CID 39818626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).