4-morpholin-4-yl-N-pent-4-ynylaniline

C15H20N2O — CID 113374169

IUPAC4-morpholin-4-yl-N-pent-4-ynylaniline
SMILESC#CCCCNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H20N2O/c1-2-3-4-9-16-14-5-7-15(8-6-14)17-10-12-18-13-11-17/h1,5-8,16H,3-4,9-13H2
InChIKeyWGBGKPVTJWXZLK-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.35
Rot. Bonds5

About 4-morpholin-4-yl-N-pent-4-ynylaniline

4-morpholin-4-yl-N-pent-4-ynylaniline (PubChem CID 113374169) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-pent-4-ynylaniline.

Molecular Properties

Compound Name4-morpholin-4-yl-N-pent-4-ynylaniline
PubChem CID113374169
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-morpholin-4-yl-N-pent-4-ynylaniline
SMILESC#CCCCNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H20N2O/c1-2-3-4-9-16-14-5-7-15(8-6-14)17-10-12-18-13-11-17/h1,5-8,16H,3-4,9-13H2
InChIKeyWGBGKPVTJWXZLK-UHFFFAOYSA-N
XLogP2.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-morpholin-4-ylanilino)pentanenitrile
CID 63172451
N-butyl-4-morpholin-4-ylaniline
CID 28675754
N-(3-ethylsulfonylpropyl)-4-morpholin-4-ylaniline
CID 65093375
N-(3-methylbutyl)-4-morpholin-4-ylaniline
CID 28675688
N'-tert-butyl-N-(4-morpholin-4-ylphenyl)ethane-1,2-diamine
CID 107444694
N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylaniline
CID 63180015
5-(4-piperidin-1-ylanilino)pentanenitrile
CID 63179154
1-[(4-morpholin-4-ylanilino)methyl]cyclohexan-1-ol
CID 63180472
N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline
CID 20785895
N-fluoro-4-morpholin-4-ylaniline
CID 141098997
4-morpholin-4-yl-N-(2-pyridin-4-ylethyl)aniline
CID 63180016
4-morpholin-4-yl-N-(2-propan-2-yloxyethyl)aniline
CID 55025471

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-pent-4-ynylaniline?
The IUPAC name of 4-morpholin-4-yl-N-pent-4-ynylaniline (CID 113374169) is 4-morpholin-4-yl-N-pent-4-ynylaniline.
What is the SMILES notation for 4-morpholin-4-yl-N-pent-4-ynylaniline?
The canonical SMILES for 4-morpholin-4-yl-N-pent-4-ynylaniline is C#CCCCNc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-yl-N-pent-4-ynylaniline?
The InChIKey is WGBGKPVTJWXZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-3-4-9-16-14-5-7-15(8-6-14)17-10-12-18-13-11-17/h1,5-8,16H,3-4,9-13H2.
What are the key properties of 4-morpholin-4-yl-N-pent-4-ynylaniline?
4-morpholin-4-yl-N-pent-4-ynylaniline has a molecular weight of 244.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-pent-4-ynylaniline is sourced from PubChem (CID 113374169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).