(3S)-1-ethenyl-2,2,3,4-tetramethyl-5-(1-morpholin-4-ylethyl)-N-prop-2-enylpyrrol-3-amine

C19H33N3O — CID 139395104

IUPAC(3S)-1-ethenyl-2,2,3,4-tetramethyl-5-(1-morpholin-4-ylethyl)-N-prop-2-enylpyrrol-3-amine
SMILESC=CCN[C@@]1(C)C(C)=C(C(C)N2CCOCC2)N(C=C)C1(C)C
InChIInChI=1S/C19H33N3O/c1-8-10-20-19(7)15(3)17(22(9-2)18(19,5)6)16(4)21-11-13-23-14-12-21/h8-9,16,20H,1-2,10-14H2,3-7H3/t16?,19-/m0/s1
InChIKeyAHHVWXLLCKKZQY-CVMIBEPCSA-N
MW319.49 g/mol
LogP2.75
Rot. Bonds6

About (3S)-1-ethenyl-2,2,3,4-tetramethyl-5-(1-morpholin-4-ylethyl)-N-prop-2-enylpyrrol-3-amine

(3S)-1-ethenyl-2,2,3,4-tetramethyl-5-(1-morpholin-4-ylethyl)-N-prop-2-enylpyrrol-3-amine (PubChem CID 139395104) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is (3S)-1-ethenyl-2,2,3,4-tetramethyl-5-(1-morpholin-4-ylethyl)-N-prop-2-enylpyrrol-3-amine.

Molecular Properties

Compound Name(3S)-1-ethenyl-2,2,3,4-tetramethyl-5-(1-morpholin-4-ylethyl)-N-prop-2-enylpyrrol-3-amine
PubChem CID139395104
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC Name(3S)-1-ethenyl-2,2,3,4-tetramethyl-5-(1-morpholin-4-ylethyl)-N-prop-2-enylpyrrol-3-amine
SMILESC=CCN[C@@]1(C)C(C)=C(C(C)N2CCOCC2)N(C=C)C1(C)C
InChIInChI=1S/C19H33N3O/c1-8-10-20-19(7)15(3)17(22(9-2)18(19,5)6)16(4)21-11-13-23-14-12-21/h8-9,16,20H,1-2,10-14H2,3-7H3/t16?,19-/m0/s1
InChIKeyAHHVWXLLCKKZQY-CVMIBEPCSA-N
XLogP2.75
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S)-1-ethenyl-2,2,3,4-tetramethyl-5-(1-morpholin-4-ylethyl)-N-prop-2-enylpyrrol-3-amine 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 (3S)-1-ethenyl-2,2,3,4-tetramethyl-5-(1-morpholin-4-ylethyl)-N-prop-2-enylpyrrol-3-amine?
The IUPAC name of (3S)-1-ethenyl-2,2,3,4-tetramethyl-5-(1-morpholin-4-ylethyl)-N-prop-2-enylpyrrol-3-amine (CID 139395104) is (3S)-1-ethenyl-2,2,3,4-tetramethyl-5-(1-morpholin-4-ylethyl)-N-prop-2-enylpyrrol-3-amine.
What is the SMILES notation for (3S)-1-ethenyl-2,2,3,4-tetramethyl-5-(1-morpholin-4-ylethyl)-N-prop-2-enylpyrrol-3-amine?
The canonical SMILES for (3S)-1-ethenyl-2,2,3,4-tetramethyl-5-(1-morpholin-4-ylethyl)-N-prop-2-enylpyrrol-3-amine is C=CCN[C@@]1(C)C(C)=C(C(C)N2CCOCC2)N(C=C)C1(C)C.
What is the InChIKey of (3S)-1-ethenyl-2,2,3,4-tetramethyl-5-(1-morpholin-4-ylethyl)-N-prop-2-enylpyrrol-3-amine?
The InChIKey is AHHVWXLLCKKZQY-CVMIBEPCSA-N. The full InChI is InChI=1S/C19H33N3O/c1-8-10-20-19(7)15(3)17(22(9-2)18(19,5)6)16(4)21-11-13-23-14-12-21/h8-9,16,20H,1-2,10-14H2,3-7H3/t16?,19-/m0/s1.
What are the key properties of (3S)-1-ethenyl-2,2,3,4-tetramethyl-5-(1-morpholin-4-ylethyl)-N-prop-2-enylpyrrol-3-amine?
(3S)-1-ethenyl-2,2,3,4-tetramethyl-5-(1-morpholin-4-ylethyl)-N-prop-2-enylpyrrol-3-amine has a molecular weight of 319.49 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethenyl-2,2,3,4-tetramethyl-5-(1-morpholin-4-ylethyl)-N-prop-2-enylpyrrol-3-amine is sourced from PubChem (CID 139395104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).