3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine

C22H38N4O2 — CID 24899046

IUPAC3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
SMILESc1cc(CNCCCN2CCOCC2)ccc1CNCCCN1CCOCC1
InChIInChI=1S/C22H38N4O2/c1(9-25-11-15-27-16-12-25)7-23-19-21-3-5-22(6-4-21)20-24-8-2-10-26-13-17-28-18-14-26/h3-6,23-24H,1-2,7-20H2
InChIKeyRIYPVLLLCSMFDC-UHFFFAOYSA-N
MW390.57 g/mol
LogP1.31
Rot. Bonds12

About 3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine

3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine (PubChem CID 24899046) has the molecular formula C22H38N4O2 and a molecular weight of 390.57 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
PubChem CID24899046
Molecular FormulaC22H38N4O2
Molecular Weight390.57 g/mol
Exact Mass390.30
IUPAC Name3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
SMILESc1cc(CNCCCN2CCOCC2)ccc1CNCCCN1CCOCC1
InChIInChI=1S/C22H38N4O2/c1(9-25-11-15-27-16-12-25)7-23-19-21-3-5-22(6-4-21)20-24-8-2-10-26-13-17-28-18-14-26/h3-6,23-24H,1-2,7-20H2
InChIKeyRIYPVLLLCSMFDC-UHFFFAOYSA-N
XLogP1.31
TPSA49.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457087
N-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152140
4-[(3-morpholin-4-ylpropylamino)methyl]benzonitrile
CID 28672523
N-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 28672164
3-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine;dihydrochloride
CID 17332415
N-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2991571
N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152143
N-[(4-ethylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968647
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
N-[(3-chloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 29241559
N-[[4-(difluoromethyl)phenyl]methyl]-2-morpholin-4-ylethanamine
CID 115523459
4-[(3-morpholin-4-ylpropylamino)methyl]-N-(2-phenylethyl)benzenesulfonamide
CID 91407227

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of 3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine (CID 24899046) is 3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for 3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for 3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine is c1cc(CNCCCN2CCOCC2)ccc1CNCCCN1CCOCC1.
What is the InChIKey of 3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine?
The InChIKey is RIYPVLLLCSMFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O2/c1(9-25-11-15-27-16-12-25)7-23-19-21-3-5-22(6-4-21)20-24-8-2-10-26-13-17-28-18-14-26/h3-6,23-24H,1-2,7-20H2.
What are the key properties of 3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine?
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine has a molecular weight of 390.57 g/mol, XLogP of 1.31, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 24899046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).