(E)-4-chloro-N-(2-morpholin-4-ylethyl)but-2-en-1-amine

C10H19ClN2O — CID 81429651

IUPAC(E)-4-chloro-N-(2-morpholin-4-ylethyl)but-2-en-1-amine
SMILESClC/C=C/CNCCN1CCOCC1
InChIInChI=1S/C10H19ClN2O/c11-3-1-2-4-12-5-6-13-7-9-14-10-8-13/h1-2,12H,3-10H2/b2-1+
InChIKeyKQUPJGIEDRXMJB-OWOJBTEDSA-N
MW218.73 g/mol
LogP0.70
Rot. Bonds6

About (E)-4-chloro-N-(2-morpholin-4-ylethyl)but-2-en-1-amine

(E)-4-chloro-N-(2-morpholin-4-ylethyl)but-2-en-1-amine (PubChem CID 81429651) has the molecular formula C10H19ClN2O and a molecular weight of 218.73 g/mol. Its IUPAC name is (E)-4-chloro-N-(2-morpholin-4-ylethyl)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-chloro-N-(2-morpholin-4-ylethyl)but-2-en-1-amine
PubChem CID81429651
Molecular FormulaC10H19ClN2O
Molecular Weight218.73 g/mol
Exact Mass218.12
IUPAC Name(E)-4-chloro-N-(2-morpholin-4-ylethyl)but-2-en-1-amine
SMILESClC/C=C/CNCCN1CCOCC1
InChIInChI=1S/C10H19ClN2O/c11-3-1-2-4-12-5-6-13-7-9-14-10-8-13/h1-2,12H,3-10H2/b2-1+
InChIKeyKQUPJGIEDRXMJB-OWOJBTEDSA-N
XLogP0.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.73
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-4-chloro-N-(2-morpholin-4-ylethyl)but-2-en-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

Related Compounds

CID 59303713
CID 59303713
N-[(3,5-dichlorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 54920179
2-(2-morpholin-4-ylethylamino)acetonitrile
CID 28583059
N-(2-morpholin-4-ylethyl)methanethioamide
CID 59030493
2-(2-morpholin-4-ylethylamino)acetic acid
CID 28897547
4-chloro-N-(2-morpholin-4-ylethyl)pentan-1-amine
CID 106121816
3-(2-morpholin-4-ylethylamino)propanoic acid
CID 28830354
1-(2-morpholin-4-ylethylamino)propan-2-ol
CID 43393555
4,4,4-trifluoro-N-(2-morpholin-4-ylethyl)butan-1-amine
CID 115513486
2,3-dimethyl-N-(2-morpholin-4-ylethyl)butan-1-amine
CID 64568943
N',N'-dimethyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 28583738
4-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine
CID 61044634

Frequently Asked Questions

What is the IUPAC name of (E)-4-chloro-N-(2-morpholin-4-ylethyl)but-2-en-1-amine?
The IUPAC name of (E)-4-chloro-N-(2-morpholin-4-ylethyl)but-2-en-1-amine (CID 81429651) is (E)-4-chloro-N-(2-morpholin-4-ylethyl)but-2-en-1-amine.
What is the SMILES notation for (E)-4-chloro-N-(2-morpholin-4-ylethyl)but-2-en-1-amine?
The canonical SMILES for (E)-4-chloro-N-(2-morpholin-4-ylethyl)but-2-en-1-amine is ClC/C=C/CNCCN1CCOCC1.
What is the InChIKey of (E)-4-chloro-N-(2-morpholin-4-ylethyl)but-2-en-1-amine?
The InChIKey is KQUPJGIEDRXMJB-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H19ClN2O/c11-3-1-2-4-12-5-6-13-7-9-14-10-8-13/h1-2,12H,3-10H2/b2-1+.
What are the key properties of (E)-4-chloro-N-(2-morpholin-4-ylethyl)but-2-en-1-amine?
(E)-4-chloro-N-(2-morpholin-4-ylethyl)but-2-en-1-amine has a molecular weight of 218.73 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-chloro-N-(2-morpholin-4-ylethyl)but-2-en-1-amine is sourced from PubChem (CID 81429651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).