(E)-N-[(4-morpholin-4-ylphenyl)methyl]pent-3-en-1-amine

C16H24N2O — CID 115629182

IUPAC(E)-N-[(4-morpholin-4-ylphenyl)methyl]pent-3-en-1-amine
SMILESC/C=C/CCNCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H24N2O/c1-2-3-4-9-17-14-15-5-7-16(8-6-15)18-10-12-19-13-11-18/h2-3,5-8,17H,4,9-14H2,1H3/b3-2+
InChIKeyVAPJPVICQKNIAD-NSCUHMNNSA-N
MW260.38 g/mol
LogP2.58
Rot. Bonds6

About (E)-N-[(4-morpholin-4-ylphenyl)methyl]pent-3-en-1-amine

(E)-N-[(4-morpholin-4-ylphenyl)methyl]pent-3-en-1-amine (PubChem CID 115629182) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (E)-N-[(4-morpholin-4-ylphenyl)methyl]pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(4-morpholin-4-ylphenyl)methyl]pent-3-en-1-amine
PubChem CID115629182
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(E)-N-[(4-morpholin-4-ylphenyl)methyl]pent-3-en-1-amine
SMILESC/C=C/CCNCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H24N2O/c1-2-3-4-9-17-14-15-5-7-16(8-6-15)18-10-12-19-13-11-18/h2-3,5-8,17H,4,9-14H2,1H3/b3-2+
InChIKeyVAPJPVICQKNIAD-NSCUHMNNSA-N
XLogP2.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(4-morpholin-4-ylphenyl)methyl]but-2-yn-1-amine
CID 113342036
N,N-dimethyl-3-[(4-morpholin-4-ylphenyl)methylamino]propanamide
CID 60926491
N-methyl-2-[(4-morpholin-4-ylphenyl)methylamino]ethanesulfonamide
CID 102674921
2-cyclobutyl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine
CID 115690242
2-[(4-morpholin-4-ylphenyl)methylamino]ethyl carbamate
CID 83210921
N,N-dimethyl-4-[[[(E)-pent-3-enyl]amino]methyl]aniline
CID 115629178
3-methyl-1-[(4-morpholin-4-ylphenyl)methylamino]butan-2-ol
CID 111422027
1-methyl-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutan-1-amine
CID 115765831
2-imidazol-1-yl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine
CID 60658076
2-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]propanenitrile
CID 55101596
N-methyl-2-(4-morpholin-4-ylphenyl)ethanamine
CID 82616430
4-(4-ethylphenyl)morpholine
CID 20576442

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-morpholin-4-ylphenyl)methyl]pent-3-en-1-amine?
The IUPAC name of (E)-N-[(4-morpholin-4-ylphenyl)methyl]pent-3-en-1-amine (CID 115629182) is (E)-N-[(4-morpholin-4-ylphenyl)methyl]pent-3-en-1-amine.
What is the SMILES notation for (E)-N-[(4-morpholin-4-ylphenyl)methyl]pent-3-en-1-amine?
The canonical SMILES for (E)-N-[(4-morpholin-4-ylphenyl)methyl]pent-3-en-1-amine is C/C=C/CCNCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (E)-N-[(4-morpholin-4-ylphenyl)methyl]pent-3-en-1-amine?
The InChIKey is VAPJPVICQKNIAD-NSCUHMNNSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-3-4-9-17-14-15-5-7-16(8-6-15)18-10-12-19-13-11-18/h2-3,5-8,17H,4,9-14H2,1H3/b3-2+.
What are the key properties of (E)-N-[(4-morpholin-4-ylphenyl)methyl]pent-3-en-1-amine?
(E)-N-[(4-morpholin-4-ylphenyl)methyl]pent-3-en-1-amine has a molecular weight of 260.38 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-morpholin-4-ylphenyl)methyl]pent-3-en-1-amine is sourced from PubChem (CID 115629182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).