(E,3S)-3-amino-2-morpholin-4-yl-7-trimethylsilylhept-5-enenitrile

C14H27N3OSi — CID 100941522

IUPAC(E,3S)-3-amino-2-morpholin-4-yl-7-trimethylsilylhept-5-enenitrile
SMILESC[Si](C)(C)C/C=C/C[C@H](N)C(C#N)N1CCOCC1
InChIInChI=1S/C14H27N3OSi/c1-19(2,3)11-5-4-6-13(16)14(12-15)17-7-9-18-10-8-17/h4-5,13-14H,6-11,16H2,1-3H3/b5-4+/t13-,14?/m0/s1
InChIKeyGOMINISDYSRMFW-VIJSAWSISA-N
MW281.48 g/mol
LogP1.82
Rot. Bonds6

About (E,3S)-3-amino-2-morpholin-4-yl-7-trimethylsilylhept-5-enenitrile

(E,3S)-3-amino-2-morpholin-4-yl-7-trimethylsilylhept-5-enenitrile (PubChem CID 100941522) has the molecular formula C14H27N3OSi and a molecular weight of 281.48 g/mol. Its IUPAC name is (E,3S)-3-amino-2-morpholin-4-yl-7-trimethylsilylhept-5-enenitrile.

Molecular Properties

Compound Name(E,3S)-3-amino-2-morpholin-4-yl-7-trimethylsilylhept-5-enenitrile
PubChem CID100941522
Molecular FormulaC14H27N3OSi
Molecular Weight281.48 g/mol
Exact Mass281.19
IUPAC Name(E,3S)-3-amino-2-morpholin-4-yl-7-trimethylsilylhept-5-enenitrile
SMILESC[Si](C)(C)C/C=C/C[C@H](N)C(C#N)N1CCOCC1
InChIInChI=1S/C14H27N3OSi/c1-19(2,3)11-5-4-6-13(16)14(12-15)17-7-9-18-10-8-17/h4-5,13-14H,6-11,16H2,1-3H3/b5-4+/t13-,14?/m0/s1
InChIKeyGOMINISDYSRMFW-VIJSAWSISA-N
XLogP1.82
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E,3S)-3-amino-2-morpholin-4-yl-7-trimethylsilylhept-5-enenitrile 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 (E,3S)-3-amino-2-morpholin-4-yl-7-trimethylsilylhept-5-enenitrile?
The IUPAC name of (E,3S)-3-amino-2-morpholin-4-yl-7-trimethylsilylhept-5-enenitrile (CID 100941522) is (E,3S)-3-amino-2-morpholin-4-yl-7-trimethylsilylhept-5-enenitrile.
What is the SMILES notation for (E,3S)-3-amino-2-morpholin-4-yl-7-trimethylsilylhept-5-enenitrile?
The canonical SMILES for (E,3S)-3-amino-2-morpholin-4-yl-7-trimethylsilylhept-5-enenitrile is C[Si](C)(C)C/C=C/C[C@H](N)C(C#N)N1CCOCC1.
What is the InChIKey of (E,3S)-3-amino-2-morpholin-4-yl-7-trimethylsilylhept-5-enenitrile?
The InChIKey is GOMINISDYSRMFW-VIJSAWSISA-N. The full InChI is InChI=1S/C14H27N3OSi/c1-19(2,3)11-5-4-6-13(16)14(12-15)17-7-9-18-10-8-17/h4-5,13-14H,6-11,16H2,1-3H3/b5-4+/t13-,14?/m0/s1.
What are the key properties of (E,3S)-3-amino-2-morpholin-4-yl-7-trimethylsilylhept-5-enenitrile?
(E,3S)-3-amino-2-morpholin-4-yl-7-trimethylsilylhept-5-enenitrile has a molecular weight of 281.48 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-3-amino-2-morpholin-4-yl-7-trimethylsilylhept-5-enenitrile is sourced from PubChem (CID 100941522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).