(5-aminocyclohexa-2,4-dien-1-yl)-trimethoxysilanuide

C9H18NO3Si- — CID 163620318

IUPAC(5-aminocyclohexa-2,4-dien-1-yl)-trimethoxysilanuide
SMILESCO[SiH-](OC)(OC)C1C=CC=C(N)C1
InChIInChI=1S/C9H18NO3Si/c1-11-14(12-2,13-3)9-6-4-5-8(10)7-9/h4-6,9,14H,7,10H2,1-3H3/q-1
InChIKeyHNNXDIVACSWECA-UHFFFAOYSA-N
MW216.33 g/mol
LogP0.77
Rot. Bonds4

About (5-aminocyclohexa-2,4-dien-1-yl)-trimethoxysilanuide

(5-aminocyclohexa-2,4-dien-1-yl)-trimethoxysilanuide (PubChem CID 163620318) has the molecular formula C9H18NO3Si- and a molecular weight of 216.33 g/mol. Its IUPAC name is (5-aminocyclohexa-2,4-dien-1-yl)-trimethoxysilanuide.

Molecular Properties

Compound Name(5-aminocyclohexa-2,4-dien-1-yl)-trimethoxysilanuide
PubChem CID163620318
Molecular FormulaC9H18NO3Si-
Molecular Weight216.33 g/mol
Exact Mass216.11
IUPAC Name(5-aminocyclohexa-2,4-dien-1-yl)-trimethoxysilanuide
SMILESCO[SiH-](OC)(OC)C1C=CC=C(N)C1
InChIInChI=1S/C9H18NO3Si/c1-11-14(12-2,13-3)9-6-4-5-8(10)7-9/h4-6,9,14H,7,10H2,1-3H3/q-1
InChIKeyHNNXDIVACSWECA-UHFFFAOYSA-N
XLogP0.77
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methylcyclohexa-1,3-dien-1-amine
CID 67612284
cyclohexa-3,5-diene-1,3-diamine
CID 23462778
1-(5-aminocyclohexa-2,4-dien-1-yl)ethanone
CID 70328282
5-(4,5-dihydro-1H-pyrazol-4-yl)cyclohexa-1,3-dien-1-amine
CID 135233197
(5S)-1-methoxy-5-methylcyclohexa-1,3-diene
CID 70326868
5-chloro-1-methoxycyclohexa-1,3-diene
CID 22747502
1-ethoxy-5-methoxycyclohexa-1,3-diene
CID 173070219
1-methoxy-5-propan-2-ylcyclohexa-1,3-diene
CID 145017511
3-methyl-4-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]cyclohepta-1,3,5-trien-1-amine
CID 174012783
(5R)-5-methoxy-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 131977860
6-methyl-4,5,6,7-tetrahydro-3aH-indene
CID 91083284
(3,5-diamino-2-methoxycyclohexa-2,4-dien-1-yl)methanol
CID 163910239

Frequently Asked Questions

What is the IUPAC name of (5-aminocyclohexa-2,4-dien-1-yl)-trimethoxysilanuide?
The IUPAC name of (5-aminocyclohexa-2,4-dien-1-yl)-trimethoxysilanuide (CID 163620318) is (5-aminocyclohexa-2,4-dien-1-yl)-trimethoxysilanuide.
What is the SMILES notation for (5-aminocyclohexa-2,4-dien-1-yl)-trimethoxysilanuide?
The canonical SMILES for (5-aminocyclohexa-2,4-dien-1-yl)-trimethoxysilanuide is CO[SiH-](OC)(OC)C1C=CC=C(N)C1.
What is the InChIKey of (5-aminocyclohexa-2,4-dien-1-yl)-trimethoxysilanuide?
The InChIKey is HNNXDIVACSWECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO3Si/c1-11-14(12-2,13-3)9-6-4-5-8(10)7-9/h4-6,9,14H,7,10H2,1-3H3/q-1.
What are the key properties of (5-aminocyclohexa-2,4-dien-1-yl)-trimethoxysilanuide?
(5-aminocyclohexa-2,4-dien-1-yl)-trimethoxysilanuide has a molecular weight of 216.33 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminocyclohexa-2,4-dien-1-yl)-trimethoxysilanuide is sourced from PubChem (CID 163620318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).